N-[[1-(aminomethyl)cyclohexyl]methyl]methanesulfonamide

C9H20N2O2S — CID 103970343

IUPACN-[[1-(aminomethyl)cyclohexyl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1(CN)CCCCC1
InChIInChI=1S/C9H20N2O2S/c1-14(12,13)11-8-9(7-10)5-3-2-4-6-9/h11H,2-8,10H2,1H3
InChIKeyMCIFRJLRDFMLTA-UHFFFAOYSA-N
MW220.34 g/mol
LogP0.44
Rot. Bonds4

About N-[[1-(aminomethyl)cyclohexyl]methyl]methanesulfonamide

N-[[1-(aminomethyl)cyclohexyl]methyl]methanesulfonamide (PubChem CID 103970343) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclohexyl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclohexyl]methyl]methanesulfonamide
PubChem CID103970343
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC NameN-[[1-(aminomethyl)cyclohexyl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1(CN)CCCCC1
InChIInChI=1S/C9H20N2O2S/c1-14(12,13)11-8-9(7-10)5-3-2-4-6-9/h11H,2-8,10H2,1H3
InChIKeyMCIFRJLRDFMLTA-UHFFFAOYSA-N
XLogP0.44
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclohexyl]methyl]methanesulfonamide?
The IUPAC name of N-[[1-(aminomethyl)cyclohexyl]methyl]methanesulfonamide (CID 103970343) is N-[[1-(aminomethyl)cyclohexyl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[1-(aminomethyl)cyclohexyl]methyl]methanesulfonamide?
The canonical SMILES for N-[[1-(aminomethyl)cyclohexyl]methyl]methanesulfonamide is CS(=O)(=O)NCC1(CN)CCCCC1.
What is the InChIKey of N-[[1-(aminomethyl)cyclohexyl]methyl]methanesulfonamide?
The InChIKey is MCIFRJLRDFMLTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S/c1-14(12,13)11-8-9(7-10)5-3-2-4-6-9/h11H,2-8,10H2,1H3.
What are the key properties of N-[[1-(aminomethyl)cyclohexyl]methyl]methanesulfonamide?
N-[[1-(aminomethyl)cyclohexyl]methyl]methanesulfonamide has a molecular weight of 220.34 g/mol, XLogP of 0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclohexyl]methyl]methanesulfonamide is sourced from PubChem (CID 103970343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).