N-[(1R,2S)-2-[[[(8R)-5-oxaspiro[3.5]nonan-8-yl]amino]methyl]cyclohexyl]methanesulfonamide

C16H30N2O3S — CID 129347463

IUPACN-[(1R,2S)-2-[[[(8R)-5-oxaspiro[3.5]nonan-8-yl]amino]methyl]cyclohexyl]methanesulfonamide
SMILESCS(=O)(=O)N[C@@H]1CCCC[C@H]1CN[C@@H]1CCOC2(CCC2)C1
InChIInChI=1S/C16H30N2O3S/c1-22(19,20)18-15-6-3-2-5-13(15)12-17-14-7-10-21-16(11-14)8-4-9-16/h13-15,17-18H,2-12H2,1H3/t13-,14+,15+/m0/s1
InChIKeyHCTVMSDGTCNQLE-RRFJBIMHSA-N
MW330.49 g/mol
LogP1.79
Rot. Bonds5

About N-[(1R,2S)-2-[[[(8R)-5-oxaspiro[3.5]nonan-8-yl]amino]methyl]cyclohexyl]methanesulfonamide

N-[(1R,2S)-2-[[[(8R)-5-oxaspiro[3.5]nonan-8-yl]amino]methyl]cyclohexyl]methanesulfonamide (PubChem CID 129347463) has the molecular formula C16H30N2O3S and a molecular weight of 330.49 g/mol. Its IUPAC name is N-[(1R,2S)-2-[[[(8R)-5-oxaspiro[3.5]nonan-8-yl]amino]methyl]cyclohexyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-[[[(8R)-5-oxaspiro[3.5]nonan-8-yl]amino]methyl]cyclohexyl]methanesulfonamide
PubChem CID129347463
Molecular FormulaC16H30N2O3S
Molecular Weight330.49 g/mol
Exact Mass330.20
IUPAC NameN-[(1R,2S)-2-[[[(8R)-5-oxaspiro[3.5]nonan-8-yl]amino]methyl]cyclohexyl]methanesulfonamide
SMILESCS(=O)(=O)N[C@@H]1CCCC[C@H]1CN[C@@H]1CCOC2(CCC2)C1
InChIInChI=1S/C16H30N2O3S/c1-22(19,20)18-15-6-3-2-5-13(15)12-17-14-7-10-21-16(11-14)8-4-9-16/h13-15,17-18H,2-12H2,1H3/t13-,14+,15+/m0/s1
InChIKeyHCTVMSDGTCNQLE-RRFJBIMHSA-N
XLogP1.79
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.49
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(1R,2S)-2-[[[(8R)-5-oxaspiro[3.5]nonan-8-yl]amino]methyl]cyclohexyl]methanesulfonamide with MolForge

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Related Compounds

N-[(1R,2R)-2-[[[(8R)-5-oxaspiro[3.5]nonan-8-yl]amino]methyl]cyclohexyl]methanesulfonamide
CID 129347462
N-[(2-methylcyclopentyl)methyl]-1-oxaspiro[5.5]undecan-4-amine
CID 107418106
N-[(1-methylcyclopropyl)methyl]-5-oxaspiro[3.5]nonan-8-amine
CID 107166629
N-[3-(1-oxaspiro[5.5]undecan-4-ylamino)propyl]methanesulfonamide
CID 106336440
N-(oxan-4-ylmethyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79903433
N-(2-methylpropyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79898518
N-[2-[(thian-3-ylamino)methyl]cyclopentyl]methanesulfonamide
CID 86787572
N-[(4-methylcyclohexyl)methyl]-6-oxaspiro[4.5]decan-9-amine
CID 79903426
N-[(1-methylcyclopentyl)methyl]-1-oxaspiro[5.5]undecan-4-amine
CID 79903273
N-[2-[[[1-(2,2-difluoroethyl)piperidin-4-yl]amino]methyl]cyclohexyl]methanesulfonamide
CID 154861370
N'-(5-oxaspiro[3.5]nonan-8-yl)ethane-1,2-diamine
CID 79895111
(9S)-N-[[(2R)-oxolan-2-yl]methyl]-6-oxaspiro[4.5]decan-9-amine
CID 97102884

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-[[[(8R)-5-oxaspiro[3.5]nonan-8-yl]amino]methyl]cyclohexyl]methanesulfonamide?
The IUPAC name of N-[(1R,2S)-2-[[[(8R)-5-oxaspiro[3.5]nonan-8-yl]amino]methyl]cyclohexyl]methanesulfonamide (CID 129347463) is N-[(1R,2S)-2-[[[(8R)-5-oxaspiro[3.5]nonan-8-yl]amino]methyl]cyclohexyl]methanesulfonamide.
What is the SMILES notation for N-[(1R,2S)-2-[[[(8R)-5-oxaspiro[3.5]nonan-8-yl]amino]methyl]cyclohexyl]methanesulfonamide?
The canonical SMILES for N-[(1R,2S)-2-[[[(8R)-5-oxaspiro[3.5]nonan-8-yl]amino]methyl]cyclohexyl]methanesulfonamide is CS(=O)(=O)N[C@@H]1CCCC[C@H]1CN[C@@H]1CCOC2(CCC2)C1.
What is the InChIKey of N-[(1R,2S)-2-[[[(8R)-5-oxaspiro[3.5]nonan-8-yl]amino]methyl]cyclohexyl]methanesulfonamide?
The InChIKey is HCTVMSDGTCNQLE-RRFJBIMHSA-N. The full InChI is InChI=1S/C16H30N2O3S/c1-22(19,20)18-15-6-3-2-5-13(15)12-17-14-7-10-21-16(11-14)8-4-9-16/h13-15,17-18H,2-12H2,1H3/t13-,14+,15+/m0/s1.
What are the key properties of N-[(1R,2S)-2-[[[(8R)-5-oxaspiro[3.5]nonan-8-yl]amino]methyl]cyclohexyl]methanesulfonamide?
N-[(1R,2S)-2-[[[(8R)-5-oxaspiro[3.5]nonan-8-yl]amino]methyl]cyclohexyl]methanesulfonamide has a molecular weight of 330.49 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-[[[(8R)-5-oxaspiro[3.5]nonan-8-yl]amino]methyl]cyclohexyl]methanesulfonamide is sourced from PubChem (CID 129347463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).