1-(1-aminocyclohexyl)-N-methylmethanesulfonamide

C8H18N2O2S — CID 71057763

IUPAC1-(1-aminocyclohexyl)-N-methylmethanesulfonamide
SMILESCNS(=O)(=O)CC1(N)CCCCC1
InChIInChI=1S/C8H18N2O2S/c1-10-13(11,12)7-8(9)5-3-2-4-6-8/h10H,2-7,9H2,1H3
InChIKeyLIHAQWXRDXFQLM-UHFFFAOYSA-N
MW206.31 g/mol
LogP0.20
Rot. Bonds3

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

1-(1-aminocyclohexyl)-N-methylmethanesulfonamide (PubChem CID 71057763) has the molecular formula C8H18N2O2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 1-(1-aminocyclohexyl)-N-methylmethanesulfonamide.

Molecular Properties

Compound Name1-(1-aminocyclohexyl)-N-methylmethanesulfonamide
PubChem CID71057763
Molecular FormulaC8H18N2O2S
Molecular Weight206.31 g/mol
Exact Mass206.11
IUPAC Name1-(1-aminocyclohexyl)-N-methylmethanesulfonamide
SMILESCNS(=O)(=O)CC1(N)CCCCC1
InChIInChI=1S/C8H18N2O2S/c1-10-13(11,12)7-8(9)5-3-2-4-6-8/h10H,2-7,9H2,1H3
InChIKeyLIHAQWXRDXFQLM-UHFFFAOYSA-N
XLogP0.20
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 50.20
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-methylmethanesulfonamide?
The IUPAC name of 1-(1-aminocyclohexyl)-N-methylmethanesulfonamide (CID 71057763) is 1-(1-aminocyclohexyl)-N-methylmethanesulfonamide.
What is the SMILES notation for 1-(1-aminocyclohexyl)-N-methylmethanesulfonamide?
The canonical SMILES for 1-(1-aminocyclohexyl)-N-methylmethanesulfonamide is CNS(=O)(=O)CC1(N)CCCCC1.
What is the InChIKey of 1-(1-aminocyclohexyl)-N-methylmethanesulfonamide?
The InChIKey is LIHAQWXRDXFQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2S/c1-10-13(11,12)7-8(9)5-3-2-4-6-8/h10H,2-7,9H2,1H3.
What are the key properties of 1-(1-aminocyclohexyl)-N-methylmethanesulfonamide?
1-(1-aminocyclohexyl)-N-methylmethanesulfonamide has a molecular weight of 206.31 g/mol, XLogP of 0.20, 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-methylmethanesulfonamide is sourced from PubChem (CID 71057763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).