N-[(1-methylsulfonylcyclohexyl)methyl]-1-oxaspiro[4.5]decan-4-amine

C17H31NO3S — CID 167800893

IUPACN-[(1-methylsulfonylcyclohexyl)methyl]-1-oxaspiro[4.5]decan-4-amine
SMILESCS(=O)(=O)C1(CNC2CCOC23CCCCC3)CCCCC1
InChIInChI=1S/C17H31NO3S/c1-22(19,20)16(9-4-2-5-10-16)14-18-15-8-13-21-17(15)11-6-3-7-12-17/h15,18H,2-14H2,1H3
InChIKeyNANREZROCFPOGM-UHFFFAOYSA-N
MW329.51 g/mol
LogP2.82
Rot. Bonds4

About N-[(1-methylsulfonylcyclohexyl)methyl]-1-oxaspiro[4.5]decan-4-amine

N-[(1-methylsulfonylcyclohexyl)methyl]-1-oxaspiro[4.5]decan-4-amine (PubChem CID 167800893) has the molecular formula C17H31NO3S and a molecular weight of 329.51 g/mol. Its IUPAC name is N-[(1-methylsulfonylcyclohexyl)methyl]-1-oxaspiro[4.5]decan-4-amine.

Molecular Properties

Compound NameN-[(1-methylsulfonylcyclohexyl)methyl]-1-oxaspiro[4.5]decan-4-amine
PubChem CID167800893
Molecular FormulaC17H31NO3S
Molecular Weight329.51 g/mol
Exact Mass329.20
IUPAC NameN-[(1-methylsulfonylcyclohexyl)methyl]-1-oxaspiro[4.5]decan-4-amine
SMILESCS(=O)(=O)C1(CNC2CCOC23CCCCC3)CCCCC1
InChIInChI=1S/C17H31NO3S/c1-22(19,20)16(9-4-2-5-10-16)14-18-15-8-13-21-17(15)11-6-3-7-12-17/h15,18H,2-14H2,1H3
InChIKeyNANREZROCFPOGM-UHFFFAOYSA-N
XLogP2.82
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.51
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1-methylsulfonylcyclohexyl)methyl]-1-oxaspiro[4.5]decan-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1-methylsulfonylcyclopentyl)methyl]cyclopropanamine
CID 62596755
N-[(1-methylsulfonylcyclopropyl)methyl]cyclopropanamine
CID 62596580
N-[(3-chloro-4-methylsulfonylphenyl)methyl]-1-oxaspiro[4.4]nonan-4-amine
CID 138021100
N-methyl-4-oxaspiro[2.4]heptan-7-amine
CID 163853502
2-methoxy-N-[(1-methylsulfonylcyclohexyl)methyl]ethanamine
CID 62594737
4-(ethylsulfonylamino)-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid
CID 175831556
(1-methylsulfonylcyclopentyl)methanamine;hydrochloride
CID 119031260
4-oxaspiro[2.4]heptan-7-ylhydrazine
CID 170121908
(4S)-1-oxaspiro[4.5]decan-4-ol
CID 134985958
7-oxaspiro[5.13]nonadecane-19-sulfonic acid
CID 59513274
N-(2,2-dimethyloxolan-3-yl)methanesulfonamide
CID 130977746
[(5S)-1-oxaspiro[4.4]nonan-9-yl]hydrazine
CID 170965638

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylsulfonylcyclohexyl)methyl]-1-oxaspiro[4.5]decan-4-amine?
The IUPAC name of N-[(1-methylsulfonylcyclohexyl)methyl]-1-oxaspiro[4.5]decan-4-amine (CID 167800893) is N-[(1-methylsulfonylcyclohexyl)methyl]-1-oxaspiro[4.5]decan-4-amine.
What is the SMILES notation for N-[(1-methylsulfonylcyclohexyl)methyl]-1-oxaspiro[4.5]decan-4-amine?
The canonical SMILES for N-[(1-methylsulfonylcyclohexyl)methyl]-1-oxaspiro[4.5]decan-4-amine is CS(=O)(=O)C1(CNC2CCOC23CCCCC3)CCCCC1.
What is the InChIKey of N-[(1-methylsulfonylcyclohexyl)methyl]-1-oxaspiro[4.5]decan-4-amine?
The InChIKey is NANREZROCFPOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO3S/c1-22(19,20)16(9-4-2-5-10-16)14-18-15-8-13-21-17(15)11-6-3-7-12-17/h15,18H,2-14H2,1H3.
What are the key properties of N-[(1-methylsulfonylcyclohexyl)methyl]-1-oxaspiro[4.5]decan-4-amine?
N-[(1-methylsulfonylcyclohexyl)methyl]-1-oxaspiro[4.5]decan-4-amine has a molecular weight of 329.51 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylsulfonylcyclohexyl)methyl]-1-oxaspiro[4.5]decan-4-amine is sourced from PubChem (CID 167800893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).