3-(3-aminopropylsulfonyl)propan-1-amine

C6H16N2O2S — CID 14585888

IUPAC3-(3-aminopropylsulfonyl)propan-1-amine
SMILESNCCCS(=O)(=O)CCCN
InChIInChI=1S/C6H16N2O2S/c7-3-1-5-11(9,10)6-2-4-8/h1-8H2
InChIKeyJGEUTDFTBBIPKI-UHFFFAOYSA-N
MW180.27 g/mol
LogP-0.90
Rot. Bonds6

About 3-(3-aminopropylsulfonyl)propan-1-amine

3-(3-aminopropylsulfonyl)propan-1-amine (PubChem CID 14585888) has the molecular formula C6H16N2O2S and a molecular weight of 180.27 g/mol. Its IUPAC name is 3-(3-aminopropylsulfonyl)propan-1-amine.

Molecular Properties

Compound Name3-(3-aminopropylsulfonyl)propan-1-amine
PubChem CID14585888
Molecular FormulaC6H16N2O2S
Molecular Weight180.27 g/mol
Exact Mass180.09
IUPAC Name3-(3-aminopropylsulfonyl)propan-1-amine
SMILESNCCCS(=O)(=O)CCCN
InChIInChI=1S/C6H16N2O2S/c7-3-1-5-11(9,10)6-2-4-8/h1-8H2
InChIKeyJGEUTDFTBBIPKI-UHFFFAOYSA-N
XLogP-0.90
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.27
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopropylsulfonyl)propan-1-amine?
The IUPAC name of 3-(3-aminopropylsulfonyl)propan-1-amine (CID 14585888) is 3-(3-aminopropylsulfonyl)propan-1-amine.
What is the SMILES notation for 3-(3-aminopropylsulfonyl)propan-1-amine?
The canonical SMILES for 3-(3-aminopropylsulfonyl)propan-1-amine is NCCCS(=O)(=O)CCCN.
What is the InChIKey of 3-(3-aminopropylsulfonyl)propan-1-amine?
The InChIKey is JGEUTDFTBBIPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O2S/c7-3-1-5-11(9,10)6-2-4-8/h1-8H2.
What are the key properties of 3-(3-aminopropylsulfonyl)propan-1-amine?
3-(3-aminopropylsulfonyl)propan-1-amine has a molecular weight of 180.27 g/mol, XLogP of -0.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopropylsulfonyl)propan-1-amine is sourced from PubChem (CID 14585888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).