1-(tert-butylsulfonylmethyl)cyclohexan-1-amine

C11H23NO2S — CID 70271120

IUPAC1-(tert-butylsulfonylmethyl)cyclohexan-1-amine
SMILESCC(C)(C)S(=O)(=O)CC1(N)CCCCC1
InChIInChI=1S/C11H23NO2S/c1-10(2,3)15(13,14)9-11(12)7-5-4-6-8-11/h4-9,12H2,1-3H3
InChIKeyPWNVPCUIIDBBDI-UHFFFAOYSA-N
MW233.38 g/mol
LogP1.86
Rot. Bonds2

About 1-(tert-butylsulfonylmethyl)cyclohexan-1-amine

1-(tert-butylsulfonylmethyl)cyclohexan-1-amine (PubChem CID 70271120) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is 1-(tert-butylsulfonylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(tert-butylsulfonylmethyl)cyclohexan-1-amine
PubChem CID70271120
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC Name1-(tert-butylsulfonylmethyl)cyclohexan-1-amine
SMILESCC(C)(C)S(=O)(=O)CC1(N)CCCCC1
InChIInChI=1S/C11H23NO2S/c1-10(2,3)15(13,14)9-11(12)7-5-4-6-8-11/h4-9,12H2,1-3H3
InChIKeyPWNVPCUIIDBBDI-UHFFFAOYSA-N
XLogP1.86
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylsulfonylmethyl)cyclohexan-1-amine?
The IUPAC name of 1-(tert-butylsulfonylmethyl)cyclohexan-1-amine (CID 70271120) is 1-(tert-butylsulfonylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(tert-butylsulfonylmethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(tert-butylsulfonylmethyl)cyclohexan-1-amine is CC(C)(C)S(=O)(=O)CC1(N)CCCCC1.
What is the InChIKey of 1-(tert-butylsulfonylmethyl)cyclohexan-1-amine?
The InChIKey is PWNVPCUIIDBBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-10(2,3)15(13,14)9-11(12)7-5-4-6-8-11/h4-9,12H2,1-3H3.
What are the key properties of 1-(tert-butylsulfonylmethyl)cyclohexan-1-amine?
1-(tert-butylsulfonylmethyl)cyclohexan-1-amine has a molecular weight of 233.38 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylsulfonylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 70271120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).