1-(3-methylpentan-3-ylsulfonylmethyl)-N-propan-2-ylcyclohexan-1-amine

C16H33NO2S — CID 59677769

IUPAC1-(3-methylpentan-3-ylsulfonylmethyl)-N-propan-2-ylcyclohexan-1-amine
SMILESCCC(C)(CC)S(=O)(=O)CC1(NC(C)C)CCCCC1
InChIInChI=1S/C16H33NO2S/c1-6-15(5,7-2)20(18,19)13-16(17-14(3)4)11-9-8-10-12-16/h14,17H,6-13H2,1-5H3
InChIKeyRUFPIMZARCYLGW-UHFFFAOYSA-N
MW303.51 g/mol
LogP3.68
Rot. Bonds7

About 1-(3-methylpentan-3-ylsulfonylmethyl)-N-propan-2-ylcyclohexan-1-amine

1-(3-methylpentan-3-ylsulfonylmethyl)-N-propan-2-ylcyclohexan-1-amine (PubChem CID 59677769) has the molecular formula C16H33NO2S and a molecular weight of 303.51 g/mol. Its IUPAC name is 1-(3-methylpentan-3-ylsulfonylmethyl)-N-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(3-methylpentan-3-ylsulfonylmethyl)-N-propan-2-ylcyclohexan-1-amine
PubChem CID59677769
Molecular FormulaC16H33NO2S
Molecular Weight303.51 g/mol
Exact Mass303.22
IUPAC Name1-(3-methylpentan-3-ylsulfonylmethyl)-N-propan-2-ylcyclohexan-1-amine
SMILESCCC(C)(CC)S(=O)(=O)CC1(NC(C)C)CCCCC1
InChIInChI=1S/C16H33NO2S/c1-6-15(5,7-2)20(18,19)13-16(17-14(3)4)11-9-8-10-12-16/h14,17H,6-13H2,1-5H3
InChIKeyRUFPIMZARCYLGW-UHFFFAOYSA-N
XLogP3.68
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.51
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylpentan-3-ylsulfonylmethyl)-N-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 1-(3-methylpentan-3-ylsulfonylmethyl)-N-propan-2-ylcyclohexan-1-amine (CID 59677769) is 1-(3-methylpentan-3-ylsulfonylmethyl)-N-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 1-(3-methylpentan-3-ylsulfonylmethyl)-N-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 1-(3-methylpentan-3-ylsulfonylmethyl)-N-propan-2-ylcyclohexan-1-amine is CCC(C)(CC)S(=O)(=O)CC1(NC(C)C)CCCCC1.
What is the InChIKey of 1-(3-methylpentan-3-ylsulfonylmethyl)-N-propan-2-ylcyclohexan-1-amine?
The InChIKey is RUFPIMZARCYLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO2S/c1-6-15(5,7-2)20(18,19)13-16(17-14(3)4)11-9-8-10-12-16/h14,17H,6-13H2,1-5H3.
What are the key properties of 1-(3-methylpentan-3-ylsulfonylmethyl)-N-propan-2-ylcyclohexan-1-amine?
1-(3-methylpentan-3-ylsulfonylmethyl)-N-propan-2-ylcyclohexan-1-amine has a molecular weight of 303.51 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylpentan-3-ylsulfonylmethyl)-N-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 59677769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).