[1-(aminomethyl)cyclopropyl]methanesulfonamide;hydrochloride

C5H13ClN2O2S — CID 170918629

IUPAC[1-(aminomethyl)cyclopropyl]methanesulfonamide;hydrochloride
SMILESCl.NCC1(CS(N)(=O)=O)CC1
InChIInChI=1S/C5H12N2O2S.ClH/c6-3-5(1-2-5)4-10(7,8)9;/h1-4,6H2,(H2,7,8,9);1H
InChIKeyGBXGWGYYLVZSKZ-UHFFFAOYSA-N
MW200.69 g/mol
LogP-0.56
Rot. Bonds3

About [1-(aminomethyl)cyclopropyl]methanesulfonamide;hydrochloride

[1-(aminomethyl)cyclopropyl]methanesulfonamide;hydrochloride (PubChem CID 170918629) has the molecular formula C5H13ClN2O2S and a molecular weight of 200.69 g/mol. Its IUPAC name is [1-(aminomethyl)cyclopropyl]methanesulfonamide;hydrochloride.

Molecular Properties

Compound Name[1-(aminomethyl)cyclopropyl]methanesulfonamide;hydrochloride
PubChem CID170918629
Molecular FormulaC5H13ClN2O2S
Molecular Weight200.69 g/mol
Exact Mass200.04
IUPAC Name[1-(aminomethyl)cyclopropyl]methanesulfonamide;hydrochloride
SMILESCl.NCC1(CS(N)(=O)=O)CC1
InChIInChI=1S/C5H12N2O2S.ClH/c6-3-5(1-2-5)4-10(7,8)9;/h1-4,6H2,(H2,7,8,9);1H
InChIKeyGBXGWGYYLVZSKZ-UHFFFAOYSA-N
XLogP-0.56
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.69
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cyclopropyl]methanesulfonamide;hydrochloride?
The IUPAC name of [1-(aminomethyl)cyclopropyl]methanesulfonamide;hydrochloride (CID 170918629) is [1-(aminomethyl)cyclopropyl]methanesulfonamide;hydrochloride.
What is the SMILES notation for [1-(aminomethyl)cyclopropyl]methanesulfonamide;hydrochloride?
The canonical SMILES for [1-(aminomethyl)cyclopropyl]methanesulfonamide;hydrochloride is Cl.NCC1(CS(N)(=O)=O)CC1.
What is the InChIKey of [1-(aminomethyl)cyclopropyl]methanesulfonamide;hydrochloride?
The InChIKey is GBXGWGYYLVZSKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O2S.ClH/c6-3-5(1-2-5)4-10(7,8)9;/h1-4,6H2,(H2,7,8,9);1H.
What are the key properties of [1-(aminomethyl)cyclopropyl]methanesulfonamide;hydrochloride?
[1-(aminomethyl)cyclopropyl]methanesulfonamide;hydrochloride has a molecular weight of 200.69 g/mol, XLogP of -0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cyclopropyl]methanesulfonamide;hydrochloride is sourced from PubChem (CID 170918629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).