N-[(1S,2S)-2-aminocyclohexyl]-1-[(1S)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methanesulfonamide

C16H30N2O3S — CID 10019560

IUPACN-[(1S,2S)-2-aminocyclohexyl]-1-[(1S)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methanesulfonamide
SMILESCC1(C)C2CC[C@@]1(CS(=O)(=O)N[C@H]1CCCC[C@@H]1N)C(O)C2
InChIInChI=1S/C16H30N2O3S/c1-15(2)11-7-8-16(15,14(19)9-11)10-22(20,21)18-13-6-4-3-5-12(13)17/h11-14,18-19H,3-10,17H2,1-2H3/t11?,12-,13-,14?,16+/m0/s1
InChIKeyKXWYBPLSEJKLJN-SAHXZQTASA-N
MW330.49 g/mol
LogP1.36
Rot. Bonds4

About N-[(1S,2S)-2-aminocyclohexyl]-1-[(1S)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methanesulfonamide

N-[(1S,2S)-2-aminocyclohexyl]-1-[(1S)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methanesulfonamide (PubChem CID 10019560) has the molecular formula C16H30N2O3S and a molecular weight of 330.49 g/mol. Its IUPAC name is N-[(1S,2S)-2-aminocyclohexyl]-1-[(1S)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-aminocyclohexyl]-1-[(1S)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methanesulfonamide
PubChem CID10019560
Molecular FormulaC16H30N2O3S
Molecular Weight330.49 g/mol
Exact Mass330.20
IUPAC NameN-[(1S,2S)-2-aminocyclohexyl]-1-[(1S)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methanesulfonamide
SMILESCC1(C)C2CC[C@@]1(CS(=O)(=O)N[C@H]1CCCC[C@@H]1N)C(O)C2
InChIInChI=1S/C16H30N2O3S/c1-15(2)11-7-8-16(15,14(19)9-11)10-22(20,21)18-13-6-4-3-5-12(13)17/h11-14,18-19H,3-10,17H2,1-2H3/t11?,12-,13-,14?,16+/m0/s1
InChIKeyKXWYBPLSEJKLJN-SAHXZQTASA-N
XLogP1.36
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.49
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]-N-[(1R,2R)-2-[[(4S)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methylsulfonylamino]cyclohexyl]methanesulfonamide
CID 156666604
[(1R,2S,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methanesulfonic acid
CID 174646583
[(1S,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methanesulfonic acid
CID 142707993
4-(2-benzylsulfanylethyl)-N-[(1R,2R)-2-[[(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methylsulfonylamino]cyclohexyl]benzenesulfonamide
CID 24862437
1-[(1S,2R,4S)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]-N-[[4-[[[(1S,2R,4S)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methylsulfonylamino]methyl]phenyl]methyl]methanesulfonamide
CID 101248125
N,N-dicyclohexyl-1-[(2S)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methanesulfonamide
CID 22831418
1-(2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl)-N-phenylmethanesulfonamide
CID 74033660
1-[(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]-N-(4-methoxyphenyl)methanesulfonamide
CID 23251525
methyl (Z)-3-[[(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methylsulfonyl]prop-2-enoate
CID 23254199
N-[(1R,2R)-2-aminocyclohexyl]propane-1-sulfonamide
CID 93452968
(1R,2S,4R)-1-(hydroxymethyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-ol
CID 14593278
1-[(1R,2S,4S)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]-N-(naphthalen-1-ylmethyl)methanesulfonamide
CID 11291762

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-aminocyclohexyl]-1-[(1S)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methanesulfonamide?
The IUPAC name of N-[(1S,2S)-2-aminocyclohexyl]-1-[(1S)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methanesulfonamide (CID 10019560) is N-[(1S,2S)-2-aminocyclohexyl]-1-[(1S)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methanesulfonamide.
What is the SMILES notation for N-[(1S,2S)-2-aminocyclohexyl]-1-[(1S)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methanesulfonamide?
The canonical SMILES for N-[(1S,2S)-2-aminocyclohexyl]-1-[(1S)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methanesulfonamide is CC1(C)C2CC[C@@]1(CS(=O)(=O)N[C@H]1CCCC[C@@H]1N)C(O)C2.
What is the InChIKey of N-[(1S,2S)-2-aminocyclohexyl]-1-[(1S)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methanesulfonamide?
The InChIKey is KXWYBPLSEJKLJN-SAHXZQTASA-N. The full InChI is InChI=1S/C16H30N2O3S/c1-15(2)11-7-8-16(15,14(19)9-11)10-22(20,21)18-13-6-4-3-5-12(13)17/h11-14,18-19H,3-10,17H2,1-2H3/t11?,12-,13-,14?,16+/m0/s1.
What are the key properties of N-[(1S,2S)-2-aminocyclohexyl]-1-[(1S)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methanesulfonamide?
N-[(1S,2S)-2-aminocyclohexyl]-1-[(1S)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methanesulfonamide has a molecular weight of 330.49 g/mol, XLogP of 1.36, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-aminocyclohexyl]-1-[(1S)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methanesulfonamide is sourced from PubChem (CID 10019560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).