4-tert-butyl-N-propyl-2-propylsulfonylcyclohexan-1-amine

C16H33NO2S — CID 64644514

IUPAC4-tert-butyl-N-propyl-2-propylsulfonylcyclohexan-1-amine
SMILESCCCNC1CCC(C(C)(C)C)CC1S(=O)(=O)CCC
InChIInChI=1S/C16H33NO2S/c1-6-10-17-14-9-8-13(16(3,4)5)12-15(14)20(18,19)11-7-2/h13-15,17H,6-12H2,1-5H3
InChIKeySUBQPTJWHXLDPL-UHFFFAOYSA-N
MW303.51 g/mol
LogP3.39
Rot. Bonds6

About 4-tert-butyl-N-propyl-2-propylsulfonylcyclohexan-1-amine

4-tert-butyl-N-propyl-2-propylsulfonylcyclohexan-1-amine (PubChem CID 64644514) has the molecular formula C16H33NO2S and a molecular weight of 303.51 g/mol. Its IUPAC name is 4-tert-butyl-N-propyl-2-propylsulfonylcyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-N-propyl-2-propylsulfonylcyclohexan-1-amine
PubChem CID64644514
Molecular FormulaC16H33NO2S
Molecular Weight303.51 g/mol
Exact Mass303.22
IUPAC Name4-tert-butyl-N-propyl-2-propylsulfonylcyclohexan-1-amine
SMILESCCCNC1CCC(C(C)(C)C)CC1S(=O)(=O)CCC
InChIInChI=1S/C16H33NO2S/c1-6-10-17-14-9-8-13(16(3,4)5)12-15(14)20(18,19)11-7-2/h13-15,17H,6-12H2,1-5H3
InChIKeySUBQPTJWHXLDPL-UHFFFAOYSA-N
XLogP3.39
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.51
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-propyl-2-propylsulfonylcyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-N-propyl-2-propylsulfonylcyclohexan-1-amine (CID 64644514) is 4-tert-butyl-N-propyl-2-propylsulfonylcyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-N-propyl-2-propylsulfonylcyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-N-propyl-2-propylsulfonylcyclohexan-1-amine is CCCNC1CCC(C(C)(C)C)CC1S(=O)(=O)CCC.
What is the InChIKey of 4-tert-butyl-N-propyl-2-propylsulfonylcyclohexan-1-amine?
The InChIKey is SUBQPTJWHXLDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO2S/c1-6-10-17-14-9-8-13(16(3,4)5)12-15(14)20(18,19)11-7-2/h13-15,17H,6-12H2,1-5H3.
What are the key properties of 4-tert-butyl-N-propyl-2-propylsulfonylcyclohexan-1-amine?
4-tert-butyl-N-propyl-2-propylsulfonylcyclohexan-1-amine has a molecular weight of 303.51 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-propyl-2-propylsulfonylcyclohexan-1-amine is sourced from PubChem (CID 64644514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).