1-[(1-methylcyclopentyl)sulfonylmethyl]-N-propan-2-ylcyclohexan-1-amine

C16H31NO2S — CID 59677820

IUPAC1-[(1-methylcyclopentyl)sulfonylmethyl]-N-propan-2-ylcyclohexan-1-amine
SMILESCC(C)NC1(CS(=O)(=O)C2(C)CCCC2)CCCCC1
InChIInChI=1S/C16H31NO2S/c1-14(2)17-16(11-5-4-6-12-16)13-20(18,19)15(3)9-7-8-10-15/h14,17H,4-13H2,1-3H3
InChIKeyAPFYHDCKVBOUEL-UHFFFAOYSA-N
MW301.50 g/mol
LogP3.43
Rot. Bonds5

About 1-[(1-methylcyclopentyl)sulfonylmethyl]-N-propan-2-ylcyclohexan-1-amine

1-[(1-methylcyclopentyl)sulfonylmethyl]-N-propan-2-ylcyclohexan-1-amine (PubChem CID 59677820) has the molecular formula C16H31NO2S and a molecular weight of 301.50 g/mol. Its IUPAC name is 1-[(1-methylcyclopentyl)sulfonylmethyl]-N-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[(1-methylcyclopentyl)sulfonylmethyl]-N-propan-2-ylcyclohexan-1-amine
PubChem CID59677820
Molecular FormulaC16H31NO2S
Molecular Weight301.50 g/mol
Exact Mass301.21
IUPAC Name1-[(1-methylcyclopentyl)sulfonylmethyl]-N-propan-2-ylcyclohexan-1-amine
SMILESCC(C)NC1(CS(=O)(=O)C2(C)CCCC2)CCCCC1
InChIInChI=1S/C16H31NO2S/c1-14(2)17-16(11-5-4-6-12-16)13-20(18,19)15(3)9-7-8-10-15/h14,17H,4-13H2,1-3H3
InChIKeyAPFYHDCKVBOUEL-UHFFFAOYSA-N
XLogP3.43
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.50
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylcyclopentyl)sulfonylmethyl]-N-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 1-[(1-methylcyclopentyl)sulfonylmethyl]-N-propan-2-ylcyclohexan-1-amine (CID 59677820) is 1-[(1-methylcyclopentyl)sulfonylmethyl]-N-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 1-[(1-methylcyclopentyl)sulfonylmethyl]-N-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 1-[(1-methylcyclopentyl)sulfonylmethyl]-N-propan-2-ylcyclohexan-1-amine is CC(C)NC1(CS(=O)(=O)C2(C)CCCC2)CCCCC1.
What is the InChIKey of 1-[(1-methylcyclopentyl)sulfonylmethyl]-N-propan-2-ylcyclohexan-1-amine?
The InChIKey is APFYHDCKVBOUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2S/c1-14(2)17-16(11-5-4-6-12-16)13-20(18,19)15(3)9-7-8-10-15/h14,17H,4-13H2,1-3H3.
What are the key properties of 1-[(1-methylcyclopentyl)sulfonylmethyl]-N-propan-2-ylcyclohexan-1-amine?
1-[(1-methylcyclopentyl)sulfonylmethyl]-N-propan-2-ylcyclohexan-1-amine has a molecular weight of 301.50 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylcyclopentyl)sulfonylmethyl]-N-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 59677820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).