1-(tert-butylsulfonylmethyl)-N-propan-2-ylcyclohexan-1-amine

C14H29NO2S — CID 59677735

IUPAC1-(tert-butylsulfonylmethyl)-N-propan-2-ylcyclohexan-1-amine
SMILESCC(C)NC1(CS(=O)(=O)C(C)(C)C)CCCCC1
InChIInChI=1S/C14H29NO2S/c1-12(2)15-14(9-7-6-8-10-14)11-18(16,17)13(3,4)5/h12,15H,6-11H2,1-5H3
InChIKeyUHTBHCACHDLPKO-UHFFFAOYSA-N
MW275.46 g/mol
LogP2.90
Rot. Bonds4

About 1-(tert-butylsulfonylmethyl)-N-propan-2-ylcyclohexan-1-amine

1-(tert-butylsulfonylmethyl)-N-propan-2-ylcyclohexan-1-amine (PubChem CID 59677735) has the molecular formula C14H29NO2S and a molecular weight of 275.46 g/mol. Its IUPAC name is 1-(tert-butylsulfonylmethyl)-N-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(tert-butylsulfonylmethyl)-N-propan-2-ylcyclohexan-1-amine
PubChem CID59677735
Molecular FormulaC14H29NO2S
Molecular Weight275.46 g/mol
Exact Mass275.19
IUPAC Name1-(tert-butylsulfonylmethyl)-N-propan-2-ylcyclohexan-1-amine
SMILESCC(C)NC1(CS(=O)(=O)C(C)(C)C)CCCCC1
InChIInChI=1S/C14H29NO2S/c1-12(2)15-14(9-7-6-8-10-14)11-18(16,17)13(3,4)5/h12,15H,6-11H2,1-5H3
InChIKeyUHTBHCACHDLPKO-UHFFFAOYSA-N
XLogP2.90
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.46
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylsulfonylmethyl)-N-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 1-(tert-butylsulfonylmethyl)-N-propan-2-ylcyclohexan-1-amine (CID 59677735) is 1-(tert-butylsulfonylmethyl)-N-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 1-(tert-butylsulfonylmethyl)-N-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 1-(tert-butylsulfonylmethyl)-N-propan-2-ylcyclohexan-1-amine is CC(C)NC1(CS(=O)(=O)C(C)(C)C)CCCCC1.
What is the InChIKey of 1-(tert-butylsulfonylmethyl)-N-propan-2-ylcyclohexan-1-amine?
The InChIKey is UHTBHCACHDLPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2S/c1-12(2)15-14(9-7-6-8-10-14)11-18(16,17)13(3,4)5/h12,15H,6-11H2,1-5H3.
What are the key properties of 1-(tert-butylsulfonylmethyl)-N-propan-2-ylcyclohexan-1-amine?
1-(tert-butylsulfonylmethyl)-N-propan-2-ylcyclohexan-1-amine has a molecular weight of 275.46 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylsulfonylmethyl)-N-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 59677735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).