N-[(1-aminocyclohexyl)methyl]methanesulfonamide

C8H18N2O2S — CID 43598238

IUPACN-[(1-aminocyclohexyl)methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1(N)CCCCC1
InChIInChI=1S/C8H18N2O2S/c1-13(11,12)10-7-8(9)5-3-2-4-6-8/h10H,2-7,9H2,1H3
InChIKeyQHKVZNBPZDEKRD-UHFFFAOYSA-N
MW206.31 g/mol
LogP0.20
Rot. Bonds3

About N-[(1-aminocyclohexyl)methyl]methanesulfonamide

N-[(1-aminocyclohexyl)methyl]methanesulfonamide (PubChem CID 43598238) has the molecular formula C8H18N2O2S and a molecular weight of 206.31 g/mol. Its IUPAC name is N-[(1-aminocyclohexyl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(1-aminocyclohexyl)methyl]methanesulfonamide
PubChem CID43598238
Molecular FormulaC8H18N2O2S
Molecular Weight206.31 g/mol
Exact Mass206.11
IUPAC NameN-[(1-aminocyclohexyl)methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1(N)CCCCC1
InChIInChI=1S/C8H18N2O2S/c1-13(11,12)10-7-8(9)5-3-2-4-6-8/h10H,2-7,9H2,1H3
InChIKeyQHKVZNBPZDEKRD-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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Related Compounds

N-[[4-(methanesulfonamidomethyl)cyclohexyl]methyl]methanesulfonamide
CID 76321684
N-[1-(aminomethyl)cyclohexyl]methanesulfonamide
CID 16227899
N-(cyclohexylmethyl)methanesulfonamide
CID 19684282
N-(2-(aminomethyl)cyclohexyl)methanesulfonamide hydrochloride
CID 119031028
N-(1-amino-2,4-dimethylpentan-2-yl)methanesulfonamide
CID 84591478
1-Amino-1-[[[ethyl(methyl)sulfamoyl]amino]methyl]cyclohexane
CID 86780507
N-[1-(aminomethyl)cyclohexyl]-1,1-difluoromethanesulfonamide
CID 28940488
N-[1-(aminomethyl)-4-methylcyclohexyl]-1,1-difluoromethanesulfonamide
CID 28940710
N-[(1-aminocyclohexyl)methyl]-1,1,1-trifluoromethanesulfonamide
CID 43598199
N-[(1-aminocyclohexyl)methyl]-1,1-difluoromethanesulfonamide
CID 43598224
N-[(1-fluorocyclohexyl)methyl]methanesulfonamide
CID 130696129
N-[(2-fluorocyclohexyl)methyl]methanesulfonamide
CID 162206415

Frequently Asked Questions

What is the IUPAC name of N-[(1-aminocyclohexyl)methyl]methanesulfonamide?
The IUPAC name of N-[(1-aminocyclohexyl)methyl]methanesulfonamide (CID 43598238) is N-[(1-aminocyclohexyl)methyl]methanesulfonamide.
What is the SMILES notation for N-[(1-aminocyclohexyl)methyl]methanesulfonamide?
The canonical SMILES for N-[(1-aminocyclohexyl)methyl]methanesulfonamide is CS(=O)(=O)NCC1(N)CCCCC1.
What is the InChIKey of N-[(1-aminocyclohexyl)methyl]methanesulfonamide?
The InChIKey is QHKVZNBPZDEKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2S/c1-13(11,12)10-7-8(9)5-3-2-4-6-8/h10H,2-7,9H2,1H3.
What are the key properties of N-[(1-aminocyclohexyl)methyl]methanesulfonamide?
N-[(1-aminocyclohexyl)methyl]methanesulfonamide 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 N-[(1-aminocyclohexyl)methyl]methanesulfonamide is sourced from PubChem (CID 43598238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).