1-(1-aminocyclohexyl)-N-tert-butyl-N-methylmethanesulfonamide

C12H26N2O2S — CID 71057617

IUPAC1-(1-aminocyclohexyl)-N-tert-butyl-N-methylmethanesulfonamide
SMILESCN(C(C)(C)C)S(=O)(=O)CC1(N)CCCCC1
InChIInChI=1S/C12H26N2O2S/c1-11(2,3)14(4)17(15,16)10-12(13)8-6-5-7-9-12/h5-10,13H2,1-4H3
InChIKeyRKWIJYCJDPXGFU-UHFFFAOYSA-N
MW262.42 g/mol
LogP1.71
Rot. Bonds3

About 1-(1-aminocyclohexyl)-N-tert-butyl-N-methylmethanesulfonamide

1-(1-aminocyclohexyl)-N-tert-butyl-N-methylmethanesulfonamide (PubChem CID 71057617) has the molecular formula C12H26N2O2S and a molecular weight of 262.42 g/mol. Its IUPAC name is 1-(1-aminocyclohexyl)-N-tert-butyl-N-methylmethanesulfonamide.

Molecular Properties

Compound Name1-(1-aminocyclohexyl)-N-tert-butyl-N-methylmethanesulfonamide
PubChem CID71057617
Molecular FormulaC12H26N2O2S
Molecular Weight262.42 g/mol
Exact Mass262.17
IUPAC Name1-(1-aminocyclohexyl)-N-tert-butyl-N-methylmethanesulfonamide
SMILESCN(C(C)(C)C)S(=O)(=O)CC1(N)CCCCC1
InChIInChI=1S/C12H26N2O2S/c1-11(2,3)14(4)17(15,16)10-12(13)8-6-5-7-9-12/h5-10,13H2,1-4H3
InChIKeyRKWIJYCJDPXGFU-UHFFFAOYSA-N
XLogP1.71
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-aminocyclohexyl)-N-tert-butyl-N-methylmethanesulfonamide?
The IUPAC name of 1-(1-aminocyclohexyl)-N-tert-butyl-N-methylmethanesulfonamide (CID 71057617) is 1-(1-aminocyclohexyl)-N-tert-butyl-N-methylmethanesulfonamide.
What is the SMILES notation for 1-(1-aminocyclohexyl)-N-tert-butyl-N-methylmethanesulfonamide?
The canonical SMILES for 1-(1-aminocyclohexyl)-N-tert-butyl-N-methylmethanesulfonamide is CN(C(C)(C)C)S(=O)(=O)CC1(N)CCCCC1.
What is the InChIKey of 1-(1-aminocyclohexyl)-N-tert-butyl-N-methylmethanesulfonamide?
The InChIKey is RKWIJYCJDPXGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2S/c1-11(2,3)14(4)17(15,16)10-12(13)8-6-5-7-9-12/h5-10,13H2,1-4H3.
What are the key properties of 1-(1-aminocyclohexyl)-N-tert-butyl-N-methylmethanesulfonamide?
1-(1-aminocyclohexyl)-N-tert-butyl-N-methylmethanesulfonamide has a molecular weight of 262.42 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminocyclohexyl)-N-tert-butyl-N-methylmethanesulfonamide is sourced from PubChem (CID 71057617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).