2-propylsulfonylethanamine;hydrochloride

C5H14ClNO2S — CID 87608994

IUPAC2-propylsulfonylethanamine;hydrochloride
SMILESCCCS(=O)(=O)CCN.Cl
InChIInChI=1S/C5H13NO2S.ClH/c1-2-4-9(7,8)5-3-6;/h2-6H2,1H3;1H
InChIKeyDLVHMDKBLUXMDQ-UHFFFAOYSA-N
MW187.69 g/mol
LogP0.19
Rot. Bonds4

About 2-propylsulfonylethanamine;hydrochloride

2-propylsulfonylethanamine;hydrochloride (PubChem CID 87608994) has the molecular formula C5H14ClNO2S and a molecular weight of 187.69 g/mol. Its IUPAC name is 2-propylsulfonylethanamine;hydrochloride.

Molecular Properties

Compound Name2-propylsulfonylethanamine;hydrochloride
PubChem CID87608994
Molecular FormulaC5H14ClNO2S
Molecular Weight187.69 g/mol
Exact Mass187.04
IUPAC Name2-propylsulfonylethanamine;hydrochloride
SMILESCCCS(=O)(=O)CCN.Cl
InChIInChI=1S/C5H13NO2S.ClH/c1-2-4-9(7,8)5-3-6;/h2-6H2,1H3;1H
InChIKeyDLVHMDKBLUXMDQ-UHFFFAOYSA-N
XLogP0.19
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.69
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-aminoethylsulfonyl)ethanamine;hydrochloride
CID 131728699
1-propylsulfonylpropane
CID 11709
2-(2-propylsulfonylethylsulfinyl)ethanamine
CID 106735657
2-(2-ethoxyethylsulfonyl)ethanamine
CID 58684809
3-butylsulfonylpropan-1-amine
CID 43615632
N'-propan-2-yl-N'-(2-propylsulfonylethyl)propane-1,3-diamine
CID 106722606
6-amino-1-propylsulfonylhexan-3-one
CID 106736174
ethane-1,2-diamine;1-ethylsulfonylethane
CID 88712876
1-amino-4-propylsulfonylbutan-2-ol
CID 106734192
2-ethyl-4-propylsulfonylbutan-1-amine
CID 106729541
3-(3-aminopropylsulfonyl)propan-1-amine;dihydrochloride
CID 14585889
2-(2-tert-butylsulfonylethylsulfonyl)ethanamine
CID 106735655

Frequently Asked Questions

What is the IUPAC name of 2-propylsulfonylethanamine;hydrochloride?
The IUPAC name of 2-propylsulfonylethanamine;hydrochloride (CID 87608994) is 2-propylsulfonylethanamine;hydrochloride.
What is the SMILES notation for 2-propylsulfonylethanamine;hydrochloride?
The canonical SMILES for 2-propylsulfonylethanamine;hydrochloride is CCCS(=O)(=O)CCN.Cl.
What is the InChIKey of 2-propylsulfonylethanamine;hydrochloride?
The InChIKey is DLVHMDKBLUXMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO2S.ClH/c1-2-4-9(7,8)5-3-6;/h2-6H2,1H3;1H.
What are the key properties of 2-propylsulfonylethanamine;hydrochloride?
2-propylsulfonylethanamine;hydrochloride has a molecular weight of 187.69 g/mol, XLogP of 0.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylsulfonylethanamine;hydrochloride is sourced from PubChem (CID 87608994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).