2-(cyclopentylmethylsulfonyl)-4-propylcyclohexan-1-amine

C15H29NO2S — CID 64675899

IUPAC2-(cyclopentylmethylsulfonyl)-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(N)C(S(=O)(=O)CC2CCCC2)C1
InChIInChI=1S/C15H29NO2S/c1-2-5-12-8-9-14(16)15(10-12)19(17,18)11-13-6-3-4-7-13/h12-15H,2-11,16H2,1H3
InChIKeyVBSGKVXQGNDTMR-UHFFFAOYSA-N
MW287.47 g/mol
LogP2.89
Rot. Bonds5

About 2-(cyclopentylmethylsulfonyl)-4-propylcyclohexan-1-amine

2-(cyclopentylmethylsulfonyl)-4-propylcyclohexan-1-amine (PubChem CID 64675899) has the molecular formula C15H29NO2S and a molecular weight of 287.47 g/mol. Its IUPAC name is 2-(cyclopentylmethylsulfonyl)-4-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(cyclopentylmethylsulfonyl)-4-propylcyclohexan-1-amine
PubChem CID64675899
Molecular FormulaC15H29NO2S
Molecular Weight287.47 g/mol
Exact Mass287.19
IUPAC Name2-(cyclopentylmethylsulfonyl)-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(N)C(S(=O)(=O)CC2CCCC2)C1
InChIInChI=1S/C15H29NO2S/c1-2-5-12-8-9-14(16)15(10-12)19(17,18)11-13-6-3-4-7-13/h12-15H,2-11,16H2,1H3
InChIKeyVBSGKVXQGNDTMR-UHFFFAOYSA-N
XLogP2.89
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.47
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethylsulfonyl)-4-propylcyclohexan-1-amine?
The IUPAC name of 2-(cyclopentylmethylsulfonyl)-4-propylcyclohexan-1-amine (CID 64675899) is 2-(cyclopentylmethylsulfonyl)-4-propylcyclohexan-1-amine.
What is the SMILES notation for 2-(cyclopentylmethylsulfonyl)-4-propylcyclohexan-1-amine?
The canonical SMILES for 2-(cyclopentylmethylsulfonyl)-4-propylcyclohexan-1-amine is CCCC1CCC(N)C(S(=O)(=O)CC2CCCC2)C1.
What is the InChIKey of 2-(cyclopentylmethylsulfonyl)-4-propylcyclohexan-1-amine?
The InChIKey is VBSGKVXQGNDTMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2S/c1-2-5-12-8-9-14(16)15(10-12)19(17,18)11-13-6-3-4-7-13/h12-15H,2-11,16H2,1H3.
What are the key properties of 2-(cyclopentylmethylsulfonyl)-4-propylcyclohexan-1-amine?
2-(cyclopentylmethylsulfonyl)-4-propylcyclohexan-1-amine has a molecular weight of 287.47 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethylsulfonyl)-4-propylcyclohexan-1-amine is sourced from PubChem (CID 64675899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).