N-[1-(aminomethyl)-3,3-dimethylcyclobutyl]methanesulfonamide

C8H18N2O2S — CID 159609136

IUPACN-[1-(aminomethyl)-3,3-dimethylcyclobutyl]methanesulfonamide
SMILESCC1(C)CC(CN)(NS(C)(=O)=O)C1
InChIInChI=1S/C8H18N2O2S/c1-7(2)4-8(5-7,6-9)10-13(3,11)12/h10H,4-6,9H2,1-3H3
InChIKeyMMLLAVQZNWPMPH-UHFFFAOYSA-N
MW206.31 g/mol
LogP0.05
Rot. Bonds3

About N-[1-(aminomethyl)-3,3-dimethylcyclobutyl]methanesulfonamide

N-[1-(aminomethyl)-3,3-dimethylcyclobutyl]methanesulfonamide (PubChem CID 159609136) has the molecular formula C8H18N2O2S and a molecular weight of 206.31 g/mol. Its IUPAC name is N-[1-(aminomethyl)-3,3-dimethylcyclobutyl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)-3,3-dimethylcyclobutyl]methanesulfonamide
PubChem CID159609136
Molecular FormulaC8H18N2O2S
Molecular Weight206.31 g/mol
Exact Mass206.11
IUPAC NameN-[1-(aminomethyl)-3,3-dimethylcyclobutyl]methanesulfonamide
SMILESCC1(C)CC(CN)(NS(C)(=O)=O)C1
InChIInChI=1S/C8H18N2O2S/c1-7(2)4-8(5-7,6-9)10-13(3,11)12/h10H,4-6,9H2,1-3H3
InChIKeyMMLLAVQZNWPMPH-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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Related Compounds

N-(1-amino-2,4-dimethylpentan-2-yl)methanesulfonamide
CID 84591478
N-(4,4-dimethylpentyl)methanesulfonamide
CID 20776366
[1-(Aminomethyl)-3,3-dimethylcyclobutyl]methanesulfonamide
CID 21888226
N-[2-[1-(aminomethyl)-3,3-dimethylcyclobutyl]ethyl]methanesulfonamide
CID 21888381
N-[[3-(methylamino)-1-bicyclo[1.1.1]pentanyl]methyl]methanesulfonamide
CID 121360923
N-[(2R)-2-amino-2-methylhexyl]methanesulfonamide
CID 122599140
N-(5-amino-4,4-dimethylpentan-2-yl)methanesulfonamide
CID 123631282
N-(6-amino-5,5-dimethylhexan-3-yl)methanesulfonamide
CID 123742936
N-[[3-[(methyldisulfanyl)amino]-1-bicyclo[1.1.1]pentanyl]methyl]methanesulfonamide
CID 132012374
N-(4,4-dimethylpentyl)methanesulfonamide;ethane
CID 142011899
N-(2-amino-2-methylhexyl)methanesulfonamide
CID 146588034
4-amino-N-(2,4,4-trimethylpentan-2-yl)butane-1-sulfonamide
CID 61666062

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-3,3-dimethylcyclobutyl]methanesulfonamide?
The IUPAC name of N-[1-(aminomethyl)-3,3-dimethylcyclobutyl]methanesulfonamide (CID 159609136) is N-[1-(aminomethyl)-3,3-dimethylcyclobutyl]methanesulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)-3,3-dimethylcyclobutyl]methanesulfonamide?
The canonical SMILES for N-[1-(aminomethyl)-3,3-dimethylcyclobutyl]methanesulfonamide is CC1(C)CC(CN)(NS(C)(=O)=O)C1.
What is the InChIKey of N-[1-(aminomethyl)-3,3-dimethylcyclobutyl]methanesulfonamide?
The InChIKey is MMLLAVQZNWPMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2S/c1-7(2)4-8(5-7,6-9)10-13(3,11)12/h10H,4-6,9H2,1-3H3.
What are the key properties of N-[1-(aminomethyl)-3,3-dimethylcyclobutyl]methanesulfonamide?
N-[1-(aminomethyl)-3,3-dimethylcyclobutyl]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-[1-(aminomethyl)-3,3-dimethylcyclobutyl]methanesulfonamide is sourced from PubChem (CID 159609136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).