N-[(1R)-1-(furan-2-yl)ethyl]-3-methylsulfonylcyclohexan-1-amine

C13H21NO3S — CID 81399415

IUPACN-[(1R)-1-(furan-2-yl)ethyl]-3-methylsulfonylcyclohexan-1-amine
SMILESC[C@@H](NC1CCCC(S(C)(=O)=O)C1)c1ccco1
InChIInChI=1S/C13H21NO3S/c1-10(13-7-4-8-17-13)14-11-5-3-6-12(9-11)18(2,15)16/h4,7-8,10-12,14H,3,5-6,9H2,1-2H3/t10-,11?,12?/m1/s1
InChIKeyBQGPCWAKUAOLGZ-VOMCLLRMSA-N
MW271.38 g/mol
LogP2.29
Rot. Bonds4

About N-[(1R)-1-(furan-2-yl)ethyl]-3-methylsulfonylcyclohexan-1-amine

N-[(1R)-1-(furan-2-yl)ethyl]-3-methylsulfonylcyclohexan-1-amine (PubChem CID 81399415) has the molecular formula C13H21NO3S and a molecular weight of 271.38 g/mol. Its IUPAC name is N-[(1R)-1-(furan-2-yl)ethyl]-3-methylsulfonylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(1R)-1-(furan-2-yl)ethyl]-3-methylsulfonylcyclohexan-1-amine
PubChem CID81399415
Molecular FormulaC13H21NO3S
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC NameN-[(1R)-1-(furan-2-yl)ethyl]-3-methylsulfonylcyclohexan-1-amine
SMILESC[C@@H](NC1CCCC(S(C)(=O)=O)C1)c1ccco1
InChIInChI=1S/C13H21NO3S/c1-10(13-7-4-8-17-13)14-11-5-3-6-12(9-11)18(2,15)16/h4,7-8,10-12,14H,3,5-6,9H2,1-2H3/t10-,11?,12?/m1/s1
InChIKeyBQGPCWAKUAOLGZ-VOMCLLRMSA-N
XLogP2.29
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1R)-1-(furan-2-yl)ethyl]-3-methylsulfonylcyclohexan-1-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-[(1R)-1-(furan-2-yl)ethyl]-2-methylsulfonylcyclopentan-1-amine
CID 81403412
N-[(1S)-1-(furan-2-yl)ethyl]-2-propan-2-yloxan-4-amine
CID 81402767
N-[(1R)-1-(3-bromophenyl)ethyl]-3-methylsulfonylcyclohexan-1-amine
CID 81381403
N-[(1S)-1-(furan-2-yl)ethyl]oxan-3-amine
CID 81402561
N-[(1S)-1-(furan-2-yl)ethyl]azepan-4-amine
CID 103982613
3-methylsulfonyl-N-(1-phenylpropyl)cyclohexan-1-amine
CID 79002828
N-[(1R)-1-(furan-2-yl)ethyl]oxetan-3-amine
CID 81403066
N-[1-(furan-2-yl)ethyl]-1-methylazepan-4-amine
CID 65070258
N-[1-(furan-2-yl)ethyl]spiro[4.5]decan-8-amine
CID 114817252
N-[1-(furan-2-yl)ethyl]piperidine-3-sulfonamide
CID 54972326
trans-(1S,2S)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]cyclopentan-1-ol
CID 102733843
N-[(1S)-1-(furan-2-yl)ethyl]-1-methylpiperidin-4-amine
CID 81403796

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(furan-2-yl)ethyl]-3-methylsulfonylcyclohexan-1-amine?
The IUPAC name of N-[(1R)-1-(furan-2-yl)ethyl]-3-methylsulfonylcyclohexan-1-amine (CID 81399415) is N-[(1R)-1-(furan-2-yl)ethyl]-3-methylsulfonylcyclohexan-1-amine.
What is the SMILES notation for N-[(1R)-1-(furan-2-yl)ethyl]-3-methylsulfonylcyclohexan-1-amine?
The canonical SMILES for N-[(1R)-1-(furan-2-yl)ethyl]-3-methylsulfonylcyclohexan-1-amine is C[C@@H](NC1CCCC(S(C)(=O)=O)C1)c1ccco1.
What is the InChIKey of N-[(1R)-1-(furan-2-yl)ethyl]-3-methylsulfonylcyclohexan-1-amine?
The InChIKey is BQGPCWAKUAOLGZ-VOMCLLRMSA-N. The full InChI is InChI=1S/C13H21NO3S/c1-10(13-7-4-8-17-13)14-11-5-3-6-12(9-11)18(2,15)16/h4,7-8,10-12,14H,3,5-6,9H2,1-2H3/t10-,11?,12?/m1/s1.
What are the key properties of N-[(1R)-1-(furan-2-yl)ethyl]-3-methylsulfonylcyclohexan-1-amine?
N-[(1R)-1-(furan-2-yl)ethyl]-3-methylsulfonylcyclohexan-1-amine has a molecular weight of 271.38 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(furan-2-yl)ethyl]-3-methylsulfonylcyclohexan-1-amine is sourced from PubChem (CID 81399415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).