N-[[1-(2-aminoethyl)cyclopropyl]methyl]methanesulfonamide

C7H16N2O2S — CID 114759089

IUPACN-[[1-(2-aminoethyl)cyclopropyl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1(CCN)CC1
InChIInChI=1S/C7H16N2O2S/c1-12(10,11)9-6-7(2-3-7)4-5-8/h9H,2-6,8H2,1H3
InChIKeyLXUGMSBXNCJDMP-UHFFFAOYSA-N
MW192.28 g/mol
LogP-0.34
Rot. Bonds5

About N-[[1-(2-aminoethyl)cyclopropyl]methyl]methanesulfonamide

N-[[1-(2-aminoethyl)cyclopropyl]methyl]methanesulfonamide (PubChem CID 114759089) has the molecular formula C7H16N2O2S and a molecular weight of 192.28 g/mol. Its IUPAC name is N-[[1-(2-aminoethyl)cyclopropyl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[1-(2-aminoethyl)cyclopropyl]methyl]methanesulfonamide
PubChem CID114759089
Molecular FormulaC7H16N2O2S
Molecular Weight192.28 g/mol
Exact Mass192.09
IUPAC NameN-[[1-(2-aminoethyl)cyclopropyl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1(CCN)CC1
InChIInChI=1S/C7H16N2O2S/c1-12(10,11)9-6-7(2-3-7)4-5-8/h9H,2-6,8H2,1H3
InChIKeyLXUGMSBXNCJDMP-UHFFFAOYSA-N
XLogP-0.34
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1-methylcyclopropyl)ethyl]methanesulfonamide
CID 131214766
N-[[1-(2-aminoethyl)cyclopropyl]methyl]-1,1-difluoromethanesulfonamide
CID 114759066
N-(3,3,4,4-tetramethylpentyl)methanesulfonamide
CID 20774377
N-(3,3-dimethylbutyl)methanesulfonamide
CID 20774379
N-(4,4-dimethylpentyl)methanesulfonamide
CID 20776366
N-(2-cyclopropylethyl)methanesulfonamide
CID 21655212
N-[(1-tert-butylcyclopropyl)methyl]methanesulfonamide
CID 89987882
N-[(1-ethylcyclopropyl)methyl]methanesulfonamide
CID 103737576
N-(3,3-dimethylpentyl)methanesulfonamide
CID 117723974
N-[4-(1-methylcyclopropyl)butyl]methanesulfonamide
CID 121481111
N-(4,4-dimethylpentyl)methanesulfonamide;ethane
CID 142011899
N-(3-methylpentyl)methanesulfonamide
CID 154474393

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-aminoethyl)cyclopropyl]methyl]methanesulfonamide?
The IUPAC name of N-[[1-(2-aminoethyl)cyclopropyl]methyl]methanesulfonamide (CID 114759089) is N-[[1-(2-aminoethyl)cyclopropyl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[1-(2-aminoethyl)cyclopropyl]methyl]methanesulfonamide?
The canonical SMILES for N-[[1-(2-aminoethyl)cyclopropyl]methyl]methanesulfonamide is CS(=O)(=O)NCC1(CCN)CC1.
What is the InChIKey of N-[[1-(2-aminoethyl)cyclopropyl]methyl]methanesulfonamide?
The InChIKey is LXUGMSBXNCJDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2S/c1-12(10,11)9-6-7(2-3-7)4-5-8/h9H,2-6,8H2,1H3.
What are the key properties of N-[[1-(2-aminoethyl)cyclopropyl]methyl]methanesulfonamide?
N-[[1-(2-aminoethyl)cyclopropyl]methyl]methanesulfonamide has a molecular weight of 192.28 g/mol, XLogP of -0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-aminoethyl)cyclopropyl]methyl]methanesulfonamide is sourced from PubChem (CID 114759089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).