3-[[(3-methylsulfonylcyclohexyl)amino]methyl]cyclopentan-1-ol

C13H25NO3S — CID 114147362

IUPAC3-[[(3-methylsulfonylcyclohexyl)amino]methyl]cyclopentan-1-ol
SMILESCS(=O)(=O)C1CCCC(NCC2CCC(O)C2)C1
InChIInChI=1S/C13H25NO3S/c1-18(16,17)13-4-2-3-11(8-13)14-9-10-5-6-12(15)7-10/h10-15H,2-9H2,1H3
InChIKeyUFABHHDFSNQYPR-UHFFFAOYSA-N
MW275.41 g/mol
LogP1.09
Rot. Bonds4

About 3-[[(3-methylsulfonylcyclohexyl)amino]methyl]cyclopentan-1-ol

3-[[(3-methylsulfonylcyclohexyl)amino]methyl]cyclopentan-1-ol (PubChem CID 114147362) has the molecular formula C13H25NO3S and a molecular weight of 275.41 g/mol. Its IUPAC name is 3-[[(3-methylsulfonylcyclohexyl)amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name3-[[(3-methylsulfonylcyclohexyl)amino]methyl]cyclopentan-1-ol
PubChem CID114147362
Molecular FormulaC13H25NO3S
Molecular Weight275.41 g/mol
Exact Mass275.16
IUPAC Name3-[[(3-methylsulfonylcyclohexyl)amino]methyl]cyclopentan-1-ol
SMILESCS(=O)(=O)C1CCCC(NCC2CCC(O)C2)C1
InChIInChI=1S/C13H25NO3S/c1-18(16,17)13-4-2-3-11(8-13)14-9-10-5-6-12(15)7-10/h10-15H,2-9H2,1H3
InChIKeyUFABHHDFSNQYPR-UHFFFAOYSA-N
XLogP1.09
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.41
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(4-ethylcycloheptyl)amino]methyl]cyclopentan-1-ol
CID 114146190
tert-butyl N-[3-[(3-hydroxycyclopentyl)methylamino]cyclohexyl]carbamate
CID 106120887
trans-(1S,3S)-3-methylsulfonylcyclohexan-1-ol
CID 96581730
trans-(1R,3R)-N-(2-ethylbutyl)-3-methylsulfonylcyclohexan-1-amine
CID 97096018
3-[[(2-methylsulfonylcyclopentyl)amino]methyl]cyclohexan-1-ol
CID 103914206
N-[(3-hydroxycyclopentyl)methyl]cyclopentanesulfonamide
CID 103270191
cis-(1S,3R)-N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-3-methylsulfonylcyclohexan-1-amine
CID 98220516
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-methylsulfonylcyclohexan-1-amine
CID 75425268
3-[[(4-propylcycloheptyl)amino]methyl]cyclohexan-1-ol
CID 106124372
2-[(3-methylsulfonylcyclohexyl)amino]ethyl carbamate
CID 83211078
3-[[(3,3-dimethylcyclobutyl)amino]methyl]cyclopentan-1-ol
CID 130693816
[4-[[(3-methylsulfonylcyclohexyl)amino]methyl]phenyl]methanol
CID 107230919

Frequently Asked Questions

What is the IUPAC name of 3-[[(3-methylsulfonylcyclohexyl)amino]methyl]cyclopentan-1-ol?
The IUPAC name of 3-[[(3-methylsulfonylcyclohexyl)amino]methyl]cyclopentan-1-ol (CID 114147362) is 3-[[(3-methylsulfonylcyclohexyl)amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 3-[[(3-methylsulfonylcyclohexyl)amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 3-[[(3-methylsulfonylcyclohexyl)amino]methyl]cyclopentan-1-ol is CS(=O)(=O)C1CCCC(NCC2CCC(O)C2)C1.
What is the InChIKey of 3-[[(3-methylsulfonylcyclohexyl)amino]methyl]cyclopentan-1-ol?
The InChIKey is UFABHHDFSNQYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3S/c1-18(16,17)13-4-2-3-11(8-13)14-9-10-5-6-12(15)7-10/h10-15H,2-9H2,1H3.
What are the key properties of 3-[[(3-methylsulfonylcyclohexyl)amino]methyl]cyclopentan-1-ol?
3-[[(3-methylsulfonylcyclohexyl)amino]methyl]cyclopentan-1-ol has a molecular weight of 275.41 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3-methylsulfonylcyclohexyl)amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 114147362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).