cis-(1R,2S)-N-[2-(1H-indol-3-yl)ethyl]-2-methylsulfonylcyclohexan-1-amine

C17H24N2O2S — CID 97235647

IUPACcis-(1R,2S)-N-[2-(1H-indol-3-yl)ethyl]-2-methylsulfonylcyclohexan-1-amine
SMILESCS(=O)(=O)[C@H]1CCCC[C@H]1NCCc1c[nH]c2ccccc12
InChIInChI=1S/C17H24N2O2S/c1-22(20,21)17-9-5-4-8-16(17)18-11-10-13-12-19-15-7-3-2-6-14(13)15/h2-3,6-7,12,16-19H,4-5,8-11H2,1H3/t16-,17+/m1/s1
InChIKeyPLNSNPQJCHXZRR-SJORKVTESA-N
MW320.46 g/mol
LogP2.66
Rot. Bonds5

About cis-(1R,2S)-N-[2-(1H-indol-3-yl)ethyl]-2-methylsulfonylcyclohexan-1-amine

cis-(1R,2S)-N-[2-(1H-indol-3-yl)ethyl]-2-methylsulfonylcyclohexan-1-amine (PubChem CID 97235647) has the molecular formula C17H24N2O2S and a molecular weight of 320.46 g/mol. Its IUPAC name is cis-(1R,2S)-N-[2-(1H-indol-3-yl)ethyl]-2-methylsulfonylcyclohexan-1-amine.

Molecular Properties

Compound Namecis-(1R,2S)-N-[2-(1H-indol-3-yl)ethyl]-2-methylsulfonylcyclohexan-1-amine
PubChem CID97235647
Molecular FormulaC17H24N2O2S
Molecular Weight320.46 g/mol
Exact Mass320.16
IUPAC Namecis-(1R,2S)-N-[2-(1H-indol-3-yl)ethyl]-2-methylsulfonylcyclohexan-1-amine
SMILESCS(=O)(=O)[C@H]1CCCC[C@H]1NCCc1c[nH]c2ccccc12
InChIInChI=1S/C17H24N2O2S/c1-22(20,21)17-9-5-4-8-16(17)18-11-10-13-12-19-15-7-3-2-6-14(13)15/h2-3,6-7,12,16-19H,4-5,8-11H2,1H3/t16-,17+/m1/s1
InChIKeyPLNSNPQJCHXZRR-SJORKVTESA-N
XLogP2.66
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-2,6-dimethylcyclohexan-1-amine
CID 43078792
N-[2-(1H-indol-3-yl)ethyl]-2,2-dimethylcyclohexan-1-amine
CID 79828848
N-[2-(1H-indol-3-yl)ethyl]cyclopropanesulfonamide
CID 113250435
(1R,2R,4S)-N-[2-(1H-indol-3-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
CID 11904832
N-[2-(1H-indol-3-yl)ethyl]-2,4,4-trimethylcyclohexan-1-amine
CID 81302824
N-[2-(1H-indol-3-yl)ethyl]-4-propan-2-ylcyclohexan-1-amine
CID 63420547
(3R,4S)-4-(4-tert-butylphenyl)sulfonyl-N-[2-(1H-indol-3-yl)ethyl]-1,1-dioxothiolan-3-amine
CID 51834994
(1S,5R,6R)-N-[2-(1H-indol-3-yl)ethyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 97043722
(1R,5S,6R)-N-[2-(1H-indol-3-yl)ethyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 100909893
2-(1H-indol-3-yl)-N-(piperidin-2-ylmethyl)ethanamine
CID 106632947
N-[2-(1H-indol-3-yl)ethyl]-4-phenylcyclohexan-1-amine
CID 1378371
N'-cyclopentyl-N-[2-(1H-indol-3-yl)ethyl]propanediamide
CID 108942165

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-N-[2-(1H-indol-3-yl)ethyl]-2-methylsulfonylcyclohexan-1-amine?
The IUPAC name of cis-(1R,2S)-N-[2-(1H-indol-3-yl)ethyl]-2-methylsulfonylcyclohexan-1-amine (CID 97235647) is cis-(1R,2S)-N-[2-(1H-indol-3-yl)ethyl]-2-methylsulfonylcyclohexan-1-amine.
What is the SMILES notation for cis-(1R,2S)-N-[2-(1H-indol-3-yl)ethyl]-2-methylsulfonylcyclohexan-1-amine?
The canonical SMILES for cis-(1R,2S)-N-[2-(1H-indol-3-yl)ethyl]-2-methylsulfonylcyclohexan-1-amine is CS(=O)(=O)[C@H]1CCCC[C@H]1NCCc1c[nH]c2ccccc12.
What is the InChIKey of cis-(1R,2S)-N-[2-(1H-indol-3-yl)ethyl]-2-methylsulfonylcyclohexan-1-amine?
The InChIKey is PLNSNPQJCHXZRR-SJORKVTESA-N. The full InChI is InChI=1S/C17H24N2O2S/c1-22(20,21)17-9-5-4-8-16(17)18-11-10-13-12-19-15-7-3-2-6-14(13)15/h2-3,6-7,12,16-19H,4-5,8-11H2,1H3/t16-,17+/m1/s1.
What are the key properties of cis-(1R,2S)-N-[2-(1H-indol-3-yl)ethyl]-2-methylsulfonylcyclohexan-1-amine?
cis-(1R,2S)-N-[2-(1H-indol-3-yl)ethyl]-2-methylsulfonylcyclohexan-1-amine has a molecular weight of 320.46 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-N-[2-(1H-indol-3-yl)ethyl]-2-methylsulfonylcyclohexan-1-amine is sourced from PubChem (CID 97235647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).