N-[(4-aminocyclohexyl)methyl]methanesulfonamide

C8H18N2O2S — CID 59401588

IUPACN-[(4-aminocyclohexyl)methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1CCC(N)CC1
InChIInChI=1S/C8H18N2O2S/c1-13(11,12)10-6-7-2-4-8(9)5-3-7/h7-8,10H,2-6,9H2,1H3
InChIKeyLNZCHLVHIQKTAE-UHFFFAOYSA-N
MW206.31 g/mol
LogP0.05
Rot. Bonds3

About N-[(4-aminocyclohexyl)methyl]methanesulfonamide

N-[(4-aminocyclohexyl)methyl]methanesulfonamide (PubChem CID 59401588) has the molecular formula C8H18N2O2S and a molecular weight of 206.31 g/mol. Its IUPAC name is N-[(4-aminocyclohexyl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(4-aminocyclohexyl)methyl]methanesulfonamide
PubChem CID59401588
Molecular FormulaC8H18N2O2S
Molecular Weight206.31 g/mol
Exact Mass206.11
IUPAC NameN-[(4-aminocyclohexyl)methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1CCC(N)CC1
InChIInChI=1S/C8H18N2O2S/c1-13(11,12)10-6-7-2-4-8(9)5-3-7/h7-8,10H,2-6,9H2,1H3
InChIKeyLNZCHLVHIQKTAE-UHFFFAOYSA-N
XLogP0.05
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 ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-aminocyclohexyl)methyl]methanesulfonamide?
The IUPAC name of N-[(4-aminocyclohexyl)methyl]methanesulfonamide (CID 59401588) is N-[(4-aminocyclohexyl)methyl]methanesulfonamide.
What is the SMILES notation for N-[(4-aminocyclohexyl)methyl]methanesulfonamide?
The canonical SMILES for N-[(4-aminocyclohexyl)methyl]methanesulfonamide is CS(=O)(=O)NCC1CCC(N)CC1.
What is the InChIKey of N-[(4-aminocyclohexyl)methyl]methanesulfonamide?
The InChIKey is LNZCHLVHIQKTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2S/c1-13(11,12)10-6-7-2-4-8(9)5-3-7/h7-8,10H,2-6,9H2,1H3.
What are the key properties of N-[(4-aminocyclohexyl)methyl]methanesulfonamide?
N-[(4-aminocyclohexyl)methyl]methanesulfonamide has a molecular weight of 206.31 g/mol, XLogP of 0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminocyclohexyl)methyl]methanesulfonamide is sourced from PubChem (CID 59401588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).