3-(2-aminoethylsulfonyl)propan-1-amine

C5H14N2O2S — CID 131060062

IUPAC3-(2-aminoethylsulfonyl)propan-1-amine
SMILESNCCCS(=O)(=O)CCN
InChIInChI=1S/C5H14N2O2S/c6-2-1-4-10(8,9)5-3-7/h1-7H2
InChIKeyZXWZKIJQGPVVMF-UHFFFAOYSA-N
MW166.25 g/mol
LogP-1.29
Rot. Bonds5

About 3-(2-aminoethylsulfonyl)propan-1-amine

3-(2-aminoethylsulfonyl)propan-1-amine (PubChem CID 131060062) has the molecular formula C5H14N2O2S and a molecular weight of 166.25 g/mol. Its IUPAC name is 3-(2-aminoethylsulfonyl)propan-1-amine.

Molecular Properties

Compound Name3-(2-aminoethylsulfonyl)propan-1-amine
PubChem CID131060062
Molecular FormulaC5H14N2O2S
Molecular Weight166.25 g/mol
Exact Mass166.08
IUPAC Name3-(2-aminoethylsulfonyl)propan-1-amine
SMILESNCCCS(=O)(=O)CCN
InChIInChI=1S/C5H14N2O2S/c6-2-1-4-10(8,9)5-3-7/h1-7H2
InChIKeyZXWZKIJQGPVVMF-UHFFFAOYSA-N
XLogP-1.29
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.25
LogP ≤ 5-1.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-Thiophenamine, tetrahydro-, 1,1-dioxide
CID 22807
4-Methanesulfonylbutan-2-amine
CID 23562465
3-(Methylsulfonyl)propan-1-amine
CID 21949286
Methylsulfonylbutylamine
CID 191144
2-Methanesulfonylpropan-1-amine
CID 54446112
3-(3-Aminopropylsulfonyl)propan-1-amine;dihydrochloride
CID 14585889
2-(Ethanesulfonyl)ethan-1-amine
CID 21217861
3-Methanesulfonylpropan-1-amine hydrochloride
CID 21949285
3-(Ethanesulfonyl)propan-1-amine hydrochloride
CID 23089204
2-(Cyclopropanesulfonyl)ethan-1-amine hydrochloride
CID 121553434
4-Methanesulfonyl-butylamine
CID 191145
3,4-Thiophenediamine, tetrahydro-, 1,1-dioxide
CID 3091618

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethylsulfonyl)propan-1-amine?
The IUPAC name of 3-(2-aminoethylsulfonyl)propan-1-amine (CID 131060062) is 3-(2-aminoethylsulfonyl)propan-1-amine.
What is the SMILES notation for 3-(2-aminoethylsulfonyl)propan-1-amine?
The canonical SMILES for 3-(2-aminoethylsulfonyl)propan-1-amine is NCCCS(=O)(=O)CCN.
What is the InChIKey of 3-(2-aminoethylsulfonyl)propan-1-amine?
The InChIKey is ZXWZKIJQGPVVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2O2S/c6-2-1-4-10(8,9)5-3-7/h1-7H2.
What are the key properties of 3-(2-aminoethylsulfonyl)propan-1-amine?
3-(2-aminoethylsulfonyl)propan-1-amine has a molecular weight of 166.25 g/mol, XLogP of -1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethylsulfonyl)propan-1-amine is sourced from PubChem (CID 131060062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).