N-(3-aminopropyl)-N-methylmethanesulfonamide;hydrochloride

C5H15ClN2O2S — CID 122163908

IUPACN-(3-aminopropyl)-N-methylmethanesulfonamide;hydrochloride
SMILESCN(CCCN)S(C)(=O)=O.Cl
InChIInChI=1S/C5H14N2O2S.ClH/c1-7(5-3-4-6)10(2,8)9;/h3-6H2,1-2H3;1H
InChIKeyYEIUCJDQDXCHKB-UHFFFAOYSA-N
MW202.71 g/mol
LogP-0.35
Rot. Bonds4

About N-(3-aminopropyl)-N-methylmethanesulfonamide;hydrochloride

N-(3-aminopropyl)-N-methylmethanesulfonamide;hydrochloride (PubChem CID 122163908) has the molecular formula C5H15ClN2O2S and a molecular weight of 202.71 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-methylmethanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-methylmethanesulfonamide;hydrochloride
PubChem CID122163908
Molecular FormulaC5H15ClN2O2S
Molecular Weight202.71 g/mol
Exact Mass202.05
IUPAC NameN-(3-aminopropyl)-N-methylmethanesulfonamide;hydrochloride
SMILESCN(CCCN)S(C)(=O)=O.Cl
InChIInChI=1S/C5H14N2O2S.ClH/c1-7(5-3-4-6)10(2,8)9;/h3-6H2,1-2H3;1H
InChIKeyYEIUCJDQDXCHKB-UHFFFAOYSA-N
XLogP-0.35
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.71
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-methylmethanesulfonamide;hydrochloride?
The IUPAC name of N-(3-aminopropyl)-N-methylmethanesulfonamide;hydrochloride (CID 122163908) is N-(3-aminopropyl)-N-methylmethanesulfonamide;hydrochloride.
What is the SMILES notation for N-(3-aminopropyl)-N-methylmethanesulfonamide;hydrochloride?
The canonical SMILES for N-(3-aminopropyl)-N-methylmethanesulfonamide;hydrochloride is CN(CCCN)S(C)(=O)=O.Cl.
What is the InChIKey of N-(3-aminopropyl)-N-methylmethanesulfonamide;hydrochloride?
The InChIKey is YEIUCJDQDXCHKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2O2S.ClH/c1-7(5-3-4-6)10(2,8)9;/h3-6H2,1-2H3;1H.
What are the key properties of N-(3-aminopropyl)-N-methylmethanesulfonamide;hydrochloride?
N-(3-aminopropyl)-N-methylmethanesulfonamide;hydrochloride has a molecular weight of 202.71 g/mol, XLogP of -0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-methylmethanesulfonamide;hydrochloride is sourced from PubChem (CID 122163908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).