N-[(5R,9S)-2-(cyclohexene-1-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide

C16H26N2O4S — CID 97423428

IUPACN-[(5R,9S)-2-(cyclohexene-1-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide
SMILESCS(=O)(=O)N[C@H]1CCO[C@]2(CCN(C(=O)C3=CCCCC3)C2)C1
InChIInChI=1S/C16H26N2O4S/c1-23(20,21)17-14-7-10-22-16(11-14)8-9-18(12-16)15(19)13-5-3-2-4-6-13/h5,14,17H,2-4,6-12H2,1H3/t14-,16+/m0/s1
InChIKeySQSBZNIGUCBDEF-GOEBONIOSA-N
MW342.46 g/mol
LogP1.19
Rot. Bonds3

About N-[(5R,9S)-2-(cyclohexene-1-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide

N-[(5R,9S)-2-(cyclohexene-1-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide (PubChem CID 97423428) has the molecular formula C16H26N2O4S and a molecular weight of 342.46 g/mol. Its IUPAC name is N-[(5R,9S)-2-(cyclohexene-1-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(5R,9S)-2-(cyclohexene-1-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide
PubChem CID97423428
Molecular FormulaC16H26N2O4S
Molecular Weight342.46 g/mol
Exact Mass342.16
IUPAC NameN-[(5R,9S)-2-(cyclohexene-1-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide
SMILESCS(=O)(=O)N[C@H]1CCO[C@]2(CCN(C(=O)C3=CCCCC3)C2)C1
InChIInChI=1S/C16H26N2O4S/c1-23(20,21)17-14-7-10-22-16(11-14)8-9-18(12-16)15(19)13-5-3-2-4-6-13/h5,14,17H,2-4,6-12H2,1H3/t14-,16+/m0/s1
InChIKeySQSBZNIGUCBDEF-GOEBONIOSA-N
XLogP1.19
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5S,9R)-2-(3-methyl-1,2-oxazole-5-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide
CID 124912808
N-[(5R,9R)-2-(2-thiophen-2-ylacetyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide
CID 97420129
N-[(5R,9R)-2-acetyl-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide
CID 97420149
N-[(5R,9S)-2-propan-2-yl-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide;2,2,2-trifluoroacetic acid
CID 155841480
N-[9-(pyridine-2-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]methanesulfonamide
CID 131639126
N-[9-(1-methylcyclohex-3-ene-1-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]methanesulfonamide
CID 131687021
N-[(5R,9S)-2-(oxan-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide;2,2,2-trifluoroacetic acid
CID 127023635
N-[(5S,9S)-2-(2-phenylethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide
CID 124782595
cyclopenten-1-yl-[8-(cyclopentylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 131644026
N-[(4R)-9-[(2-chlorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]methanesulfonamide
CID 98894396
N-[(5R,9S)-2-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide
CID 97420104
N-[(5S,9S)-2-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide
CID 124809407

Frequently Asked Questions

What is the IUPAC name of N-[(5R,9S)-2-(cyclohexene-1-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide?
The IUPAC name of N-[(5R,9S)-2-(cyclohexene-1-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide (CID 97423428) is N-[(5R,9S)-2-(cyclohexene-1-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide.
What is the SMILES notation for N-[(5R,9S)-2-(cyclohexene-1-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide?
The canonical SMILES for N-[(5R,9S)-2-(cyclohexene-1-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide is CS(=O)(=O)N[C@H]1CCO[C@]2(CCN(C(=O)C3=CCCCC3)C2)C1.
What is the InChIKey of N-[(5R,9S)-2-(cyclohexene-1-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide?
The InChIKey is SQSBZNIGUCBDEF-GOEBONIOSA-N. The full InChI is InChI=1S/C16H26N2O4S/c1-23(20,21)17-14-7-10-22-16(11-14)8-9-18(12-16)15(19)13-5-3-2-4-6-13/h5,14,17H,2-4,6-12H2,1H3/t14-,16+/m0/s1.
What are the key properties of N-[(5R,9S)-2-(cyclohexene-1-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide?
N-[(5R,9S)-2-(cyclohexene-1-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide has a molecular weight of 342.46 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5R,9S)-2-(cyclohexene-1-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide is sourced from PubChem (CID 97423428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).