1-(2-methylbutan-2-ylsulfonylmethyl)-N-propan-2-ylcyclohexan-1-amine

C15H31NO2S — CID 59677813

IUPAC1-(2-methylbutan-2-ylsulfonylmethyl)-N-propan-2-ylcyclohexan-1-amine
SMILESCCC(C)(C)S(=O)(=O)CC1(NC(C)C)CCCCC1
InChIInChI=1S/C15H31NO2S/c1-6-14(4,5)19(17,18)12-15(16-13(2)3)10-8-7-9-11-15/h13,16H,6-12H2,1-5H3
InChIKeyPFVXQHRCDGIGJN-UHFFFAOYSA-N
MW289.49 g/mol
LogP3.29
Rot. Bonds6

About 1-(2-methylbutan-2-ylsulfonylmethyl)-N-propan-2-ylcyclohexan-1-amine

1-(2-methylbutan-2-ylsulfonylmethyl)-N-propan-2-ylcyclohexan-1-amine (PubChem CID 59677813) has the molecular formula C15H31NO2S and a molecular weight of 289.49 g/mol. Its IUPAC name is 1-(2-methylbutan-2-ylsulfonylmethyl)-N-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(2-methylbutan-2-ylsulfonylmethyl)-N-propan-2-ylcyclohexan-1-amine
PubChem CID59677813
Molecular FormulaC15H31NO2S
Molecular Weight289.49 g/mol
Exact Mass289.21
IUPAC Name1-(2-methylbutan-2-ylsulfonylmethyl)-N-propan-2-ylcyclohexan-1-amine
SMILESCCC(C)(C)S(=O)(=O)CC1(NC(C)C)CCCCC1
InChIInChI=1S/C15H31NO2S/c1-6-14(4,5)19(17,18)12-15(16-13(2)3)10-8-7-9-11-15/h13,16H,6-12H2,1-5H3
InChIKeyPFVXQHRCDGIGJN-UHFFFAOYSA-N
XLogP3.29
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.49
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylbutan-2-ylsulfonylmethyl)-N-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 1-(2-methylbutan-2-ylsulfonylmethyl)-N-propan-2-ylcyclohexan-1-amine (CID 59677813) is 1-(2-methylbutan-2-ylsulfonylmethyl)-N-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 1-(2-methylbutan-2-ylsulfonylmethyl)-N-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 1-(2-methylbutan-2-ylsulfonylmethyl)-N-propan-2-ylcyclohexan-1-amine is CCC(C)(C)S(=O)(=O)CC1(NC(C)C)CCCCC1.
What is the InChIKey of 1-(2-methylbutan-2-ylsulfonylmethyl)-N-propan-2-ylcyclohexan-1-amine?
The InChIKey is PFVXQHRCDGIGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2S/c1-6-14(4,5)19(17,18)12-15(16-13(2)3)10-8-7-9-11-15/h13,16H,6-12H2,1-5H3.
What are the key properties of 1-(2-methylbutan-2-ylsulfonylmethyl)-N-propan-2-ylcyclohexan-1-amine?
1-(2-methylbutan-2-ylsulfonylmethyl)-N-propan-2-ylcyclohexan-1-amine has a molecular weight of 289.49 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylbutan-2-ylsulfonylmethyl)-N-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 59677813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).