1-(1-aminocyclohexyl)-N-tert-butylmethanesulfonamide

C11H24N2O2S — CID 71057835

IUPAC1-(1-aminocyclohexyl)-N-tert-butylmethanesulfonamide
SMILESCC(C)(C)NS(=O)(=O)CC1(N)CCCCC1
InChIInChI=1S/C11H24N2O2S/c1-10(2,3)13-16(14,15)9-11(12)7-5-4-6-8-11/h13H,4-9,12H2,1-3H3
InChIKeyYJCHZTIPCRUVBA-UHFFFAOYSA-N
MW248.39 g/mol
LogP1.37
Rot. Bonds3

About 1-(1-aminocyclohexyl)-N-tert-butylmethanesulfonamide

1-(1-aminocyclohexyl)-N-tert-butylmethanesulfonamide (PubChem CID 71057835) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is 1-(1-aminocyclohexyl)-N-tert-butylmethanesulfonamide.

Molecular Properties

Compound Name1-(1-aminocyclohexyl)-N-tert-butylmethanesulfonamide
PubChem CID71057835
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC Name1-(1-aminocyclohexyl)-N-tert-butylmethanesulfonamide
SMILESCC(C)(C)NS(=O)(=O)CC1(N)CCCCC1
InChIInChI=1S/C11H24N2O2S/c1-10(2,3)13-16(14,15)9-11(12)7-5-4-6-8-11/h13H,4-9,12H2,1-3H3
InChIKeyYJCHZTIPCRUVBA-UHFFFAOYSA-N
XLogP1.37
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-aminocyclohexyl)-N-tert-butylmethanesulfonamide?
The IUPAC name of 1-(1-aminocyclohexyl)-N-tert-butylmethanesulfonamide (CID 71057835) is 1-(1-aminocyclohexyl)-N-tert-butylmethanesulfonamide.
What is the SMILES notation for 1-(1-aminocyclohexyl)-N-tert-butylmethanesulfonamide?
The canonical SMILES for 1-(1-aminocyclohexyl)-N-tert-butylmethanesulfonamide is CC(C)(C)NS(=O)(=O)CC1(N)CCCCC1.
What is the InChIKey of 1-(1-aminocyclohexyl)-N-tert-butylmethanesulfonamide?
The InChIKey is YJCHZTIPCRUVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-10(2,3)13-16(14,15)9-11(12)7-5-4-6-8-11/h13H,4-9,12H2,1-3H3.
What are the key properties of 1-(1-aminocyclohexyl)-N-tert-butylmethanesulfonamide?
1-(1-aminocyclohexyl)-N-tert-butylmethanesulfonamide has a molecular weight of 248.39 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminocyclohexyl)-N-tert-butylmethanesulfonamide is sourced from PubChem (CID 71057835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).