N-(1,3,3a,4,5,6,7,7a-octahydrofuro[3,4-c]pyridin-1-ylmethyl)methanesulfonamide;hydrochloride

C9H19ClN2O3S — CID 171158832

IUPACN-(1,3,3a,4,5,6,7,7a-octahydrofuro[3,4-c]pyridin-1-ylmethyl)methanesulfonamide;hydrochloride
SMILESCS(=O)(=O)NCC1OCC2CNCCC21.Cl
InChIInChI=1S/C9H18N2O3S.ClH/c1-15(12,13)11-5-9-8-2-3-10-4-7(8)6-14-9;/h7-11H,2-6H2,1H3;1H
InChIKeyONMQSKSJTMLEHK-UHFFFAOYSA-N
MW270.78 g/mol
LogP-0.42
Rot. Bonds3

About N-(1,3,3a,4,5,6,7,7a-octahydrofuro[3,4-c]pyridin-1-ylmethyl)methanesulfonamide;hydrochloride

N-(1,3,3a,4,5,6,7,7a-octahydrofuro[3,4-c]pyridin-1-ylmethyl)methanesulfonamide;hydrochloride (PubChem CID 171158832) has the molecular formula C9H19ClN2O3S and a molecular weight of 270.78 g/mol. Its IUPAC name is N-(1,3,3a,4,5,6,7,7a-octahydrofuro[3,4-c]pyridin-1-ylmethyl)methanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(1,3,3a,4,5,6,7,7a-octahydrofuro[3,4-c]pyridin-1-ylmethyl)methanesulfonamide;hydrochloride
PubChem CID171158832
Molecular FormulaC9H19ClN2O3S
Molecular Weight270.78 g/mol
Exact Mass270.08
IUPAC NameN-(1,3,3a,4,5,6,7,7a-octahydrofuro[3,4-c]pyridin-1-ylmethyl)methanesulfonamide;hydrochloride
SMILESCS(=O)(=O)NCC1OCC2CNCCC21.Cl
InChIInChI=1S/C9H18N2O3S.ClH/c1-15(12,13)11-5-9-8-2-3-10-4-7(8)6-14-9;/h7-11H,2-6H2,1H3;1H
InChIKeyONMQSKSJTMLEHK-UHFFFAOYSA-N
XLogP-0.42
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.78
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(3R)-pyrrolidin-3-yl]methyl]methanesulfonamide
CID 55296076
N-[[(3S)-pyrrolidin-3-yl]methyl]methanesulfonamide
CID 66653276
N-[[(1S,3aS,7aS)-1,3,3a,4,5,6,7,7a-octahydrofuro[3,4-c]pyridin-1-yl]methyl]-1-methylpyrazole-4-carboxamide;hydrochloride
CID 155850689
N-[[(2S)-morpholin-2-yl]methyl]methanesulfonamide
CID 93215764
N-[[(1R,3aR,7aR)-5-(6-methyl-2-pyridinyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]methanesulfonamide
CID 97459802
N-[[(1R,3aS,7aS)-5-(thiophen-3-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]methanesulfonamide
CID 124782364
N-[[(1S,3aR,7aR)-5-(5-methylfuran-2-carbonyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]methanesulfonamide
CID 97461784
propane;N-pyrrolidin-3-ylmethanesulfonamide
CID 143474568
N-[[(1R,3aR,7aR)-5-(thiophene-2-carbonyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]methanesulfonamide
CID 98777316
N-[[(3R,3aS,7aS)-5-(thiophen-2-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]methanesulfonamide
CID 124783475
N-[[(3R,3aS,7aS)-5-(pyridazine-4-carbonyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]methanesulfonamide
CID 124783758
N-[[(3S,3aR,7aR)-5-(5-chloropyrimidine-2-carbonyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]methanesulfonamide
CID 131689146

Frequently Asked Questions

What is the IUPAC name of N-(1,3,3a,4,5,6,7,7a-octahydrofuro[3,4-c]pyridin-1-ylmethyl)methanesulfonamide;hydrochloride?
The IUPAC name of N-(1,3,3a,4,5,6,7,7a-octahydrofuro[3,4-c]pyridin-1-ylmethyl)methanesulfonamide;hydrochloride (CID 171158832) is N-(1,3,3a,4,5,6,7,7a-octahydrofuro[3,4-c]pyridin-1-ylmethyl)methanesulfonamide;hydrochloride.
What is the SMILES notation for N-(1,3,3a,4,5,6,7,7a-octahydrofuro[3,4-c]pyridin-1-ylmethyl)methanesulfonamide;hydrochloride?
The canonical SMILES for N-(1,3,3a,4,5,6,7,7a-octahydrofuro[3,4-c]pyridin-1-ylmethyl)methanesulfonamide;hydrochloride is CS(=O)(=O)NCC1OCC2CNCCC21.Cl.
What is the InChIKey of N-(1,3,3a,4,5,6,7,7a-octahydrofuro[3,4-c]pyridin-1-ylmethyl)methanesulfonamide;hydrochloride?
The InChIKey is ONMQSKSJTMLEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3S.ClH/c1-15(12,13)11-5-9-8-2-3-10-4-7(8)6-14-9;/h7-11H,2-6H2,1H3;1H.
What are the key properties of N-(1,3,3a,4,5,6,7,7a-octahydrofuro[3,4-c]pyridin-1-ylmethyl)methanesulfonamide;hydrochloride?
N-(1,3,3a,4,5,6,7,7a-octahydrofuro[3,4-c]pyridin-1-ylmethyl)methanesulfonamide;hydrochloride has a molecular weight of 270.78 g/mol, XLogP of -0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3,3a,4,5,6,7,7a-octahydrofuro[3,4-c]pyridin-1-ylmethyl)methanesulfonamide;hydrochloride is sourced from PubChem (CID 171158832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).