N-[(4R,5S)-5-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-3-(methanesulfonamido)propanamide;hydrochloride

C14H28ClN3O5S — CID 154915504

IUPACN-[(4R,5S)-5-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-3-(methanesulfonamido)propanamide;hydrochloride
SMILESC[C@@]1(NC(=O)CCNS(C)(=O)=O)CCOC2(CCNCC2)[C@H]1O.Cl
InChIInChI=1S/C14H27N3O5S.ClH/c1-13(17-11(18)3-7-16-23(2,20)21)6-10-22-14(12(13)19)4-8-15-9-5-14;/h12,15-16,19H,3-10H2,1-2H3,(H,17,18);1H/t12-,13+;/m0./s1
InChIKeyMFWAXUAHHBPAMU-JHEYCYPBSA-N
MW385.91 g/mol
LogP-0.87
Rot. Bonds5

About N-[(4R,5S)-5-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-3-(methanesulfonamido)propanamide;hydrochloride

N-[(4R,5S)-5-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-3-(methanesulfonamido)propanamide;hydrochloride (PubChem CID 154915504) has the molecular formula C14H28ClN3O5S and a molecular weight of 385.91 g/mol. Its IUPAC name is N-[(4R,5S)-5-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-3-(methanesulfonamido)propanamide;hydrochloride.

Molecular Properties

Compound NameN-[(4R,5S)-5-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-3-(methanesulfonamido)propanamide;hydrochloride
PubChem CID154915504
Molecular FormulaC14H28ClN3O5S
Molecular Weight385.91 g/mol
Exact Mass385.14
IUPAC NameN-[(4R,5S)-5-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-3-(methanesulfonamido)propanamide;hydrochloride
SMILESC[C@@]1(NC(=O)CCNS(C)(=O)=O)CCOC2(CCNCC2)[C@H]1O.Cl
InChIInChI=1S/C14H27N3O5S.ClH/c1-13(17-11(18)3-7-16-23(2,20)21)6-10-22-14(12(13)19)4-8-15-9-5-14;/h12,15-16,19H,3-10H2,1-2H3,(H,17,18);1H/t12-,13+;/m0./s1
InChIKeyMFWAXUAHHBPAMU-JHEYCYPBSA-N
XLogP-0.87
TPSA116.76 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.91
LogP ≤ 5-0.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4R,5S)-5-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-3-(2-methylpyrazol-3-yl)propanamide
CID 135117034
N-[(4R,5S)-5-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide;dihydrochloride
CID 154918558
5-chloro-N-[(4R,5S)-5-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-6-oxo-1H-pyridine-3-carboxamide;dihydrochloride
CID 154915717
5-chloro-2-fluoro-N-[(4R,5S)-5-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]benzamide
CID 135113034
N-[(4R,5S)-5-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-2-(2-phenylethoxy)benzamide;hydrochloride
CID 154915682
2-hydroxy-N-[(4R,5S)-5-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-3,5-di(propan-2-yl)benzamide;hydrochloride
CID 154915598
N-[3-(methanesulfonamido)propyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 103872583
N-(2,3-dimethyloxolan-3-yl)-3-piperidin-4-ylpropanamide
CID 114096015
N-(4-methylpiperidin-4-yl)-2-methylsulfonylacetamide
CID 114696301
N-[(4S,5R)-9-(4-cyano-1H-pyrrole-2-carbonyl)-5-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide
CID 165421605
2-[(4R,5S)-5-hydroxy-4-[(2-methoxyacetyl)amino]-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-N-prop-2-enylacetamide
CID 137342676
N-[(4R,5S)-5-hydroxy-4-methyl-9-(3-methylbut-2-enyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]pyridine-4-carboxamide
CID 137336615

Frequently Asked Questions

What is the IUPAC name of N-[(4R,5S)-5-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-3-(methanesulfonamido)propanamide;hydrochloride?
The IUPAC name of N-[(4R,5S)-5-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-3-(methanesulfonamido)propanamide;hydrochloride (CID 154915504) is N-[(4R,5S)-5-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-3-(methanesulfonamido)propanamide;hydrochloride.
What is the SMILES notation for N-[(4R,5S)-5-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-3-(methanesulfonamido)propanamide;hydrochloride?
The canonical SMILES for N-[(4R,5S)-5-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-3-(methanesulfonamido)propanamide;hydrochloride is C[C@@]1(NC(=O)CCNS(C)(=O)=O)CCOC2(CCNCC2)[C@H]1O.Cl.
What is the InChIKey of N-[(4R,5S)-5-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-3-(methanesulfonamido)propanamide;hydrochloride?
The InChIKey is MFWAXUAHHBPAMU-JHEYCYPBSA-N. The full InChI is InChI=1S/C14H27N3O5S.ClH/c1-13(17-11(18)3-7-16-23(2,20)21)6-10-22-14(12(13)19)4-8-15-9-5-14;/h12,15-16,19H,3-10H2,1-2H3,(H,17,18);1H/t12-,13+;/m0./s1.
What are the key properties of N-[(4R,5S)-5-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-3-(methanesulfonamido)propanamide;hydrochloride?
N-[(4R,5S)-5-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-3-(methanesulfonamido)propanamide;hydrochloride has a molecular weight of 385.91 g/mol, XLogP of -0.87, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R,5S)-5-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-3-(methanesulfonamido)propanamide;hydrochloride is sourced from PubChem (CID 154915504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).