3-amino-1-[3-aminopropyl(2-methylsulfonylethyl)amino]propane-1-sulfonamide

C9H24N4O4S2 — CID 141285516

IUPAC3-amino-1-[3-aminopropyl(2-methylsulfonylethyl)amino]propane-1-sulfonamide
SMILESCS(=O)(=O)CCN(CCCN)C(CCN)S(N)(=O)=O
InChIInChI=1S/C9H24N4O4S2/c1-18(14,15)8-7-13(6-2-4-10)9(3-5-11)19(12,16)17/h9H,2-8,10-11H2,1H3,(H2,12,16,17)
InChIKeyFADNQEJGUGCWHH-UHFFFAOYSA-N
MW316.45 g/mol
LogP-2.35
Rot. Bonds10

About 3-amino-1-[3-aminopropyl(2-methylsulfonylethyl)amino]propane-1-sulfonamide

3-amino-1-[3-aminopropyl(2-methylsulfonylethyl)amino]propane-1-sulfonamide (PubChem CID 141285516) has the molecular formula C9H24N4O4S2 and a molecular weight of 316.45 g/mol. Its IUPAC name is 3-amino-1-[3-aminopropyl(2-methylsulfonylethyl)amino]propane-1-sulfonamide.

Molecular Properties

Compound Name3-amino-1-[3-aminopropyl(2-methylsulfonylethyl)amino]propane-1-sulfonamide
PubChem CID141285516
Molecular FormulaC9H24N4O4S2
Molecular Weight316.45 g/mol
Exact Mass316.12
IUPAC Name3-amino-1-[3-aminopropyl(2-methylsulfonylethyl)amino]propane-1-sulfonamide
SMILESCS(=O)(=O)CCN(CCCN)C(CCN)S(N)(=O)=O
InChIInChI=1S/C9H24N4O4S2/c1-18(14,15)8-7-13(6-2-4-10)9(3-5-11)19(12,16)17/h9H,2-8,10-11H2,1H3,(H2,12,16,17)
InChIKeyFADNQEJGUGCWHH-UHFFFAOYSA-N
XLogP-2.35
TPSA149.58 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 5-2.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[3-aminopropyl(2-methylsulfonylethyl)amino]propane-1-sulfonamide?
The IUPAC name of 3-amino-1-[3-aminopropyl(2-methylsulfonylethyl)amino]propane-1-sulfonamide (CID 141285516) is 3-amino-1-[3-aminopropyl(2-methylsulfonylethyl)amino]propane-1-sulfonamide.
What is the SMILES notation for 3-amino-1-[3-aminopropyl(2-methylsulfonylethyl)amino]propane-1-sulfonamide?
The canonical SMILES for 3-amino-1-[3-aminopropyl(2-methylsulfonylethyl)amino]propane-1-sulfonamide is CS(=O)(=O)CCN(CCCN)C(CCN)S(N)(=O)=O.
What is the InChIKey of 3-amino-1-[3-aminopropyl(2-methylsulfonylethyl)amino]propane-1-sulfonamide?
The InChIKey is FADNQEJGUGCWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H24N4O4S2/c1-18(14,15)8-7-13(6-2-4-10)9(3-5-11)19(12,16)17/h9H,2-8,10-11H2,1H3,(H2,12,16,17).
What are the key properties of 3-amino-1-[3-aminopropyl(2-methylsulfonylethyl)amino]propane-1-sulfonamide?
3-amino-1-[3-aminopropyl(2-methylsulfonylethyl)amino]propane-1-sulfonamide has a molecular weight of 316.45 g/mol, XLogP of -2.35, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[3-aminopropyl(2-methylsulfonylethyl)amino]propane-1-sulfonamide is sourced from PubChem (CID 141285516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).