2-(3-aminopropylamino)-N-methylethanesulfonamide

C6H17N3O2S — CID 106333620

IUPAC2-(3-aminopropylamino)-N-methylethanesulfonamide
SMILESCNS(=O)(=O)CCNCCCN
InChIInChI=1S/C6H17N3O2S/c1-8-12(10,11)6-5-9-4-2-3-7/h8-9H,2-7H2,1H3
InChIKeyOXFMZBYCBZKKBK-UHFFFAOYSA-N
MW195.29 g/mol
LogP-1.53
Rot. Bonds7

About 2-(3-aminopropylamino)-N-methylethanesulfonamide

2-(3-aminopropylamino)-N-methylethanesulfonamide (PubChem CID 106333620) has the molecular formula C6H17N3O2S and a molecular weight of 195.29 g/mol. Its IUPAC name is 2-(3-aminopropylamino)-N-methylethanesulfonamide.

Molecular Properties

Compound Name2-(3-aminopropylamino)-N-methylethanesulfonamide
PubChem CID106333620
Molecular FormulaC6H17N3O2S
Molecular Weight195.29 g/mol
Exact Mass195.10
IUPAC Name2-(3-aminopropylamino)-N-methylethanesulfonamide
SMILESCNS(=O)(=O)CCNCCCN
InChIInChI=1S/C6H17N3O2S/c1-8-12(10,11)6-5-9-4-2-3-7/h8-9H,2-7H2,1H3
InChIKeyOXFMZBYCBZKKBK-UHFFFAOYSA-N
XLogP-1.53
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 5-1.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-(2-ethylsulfonylethyl)propane-1,3-diamine
CID 62273153
2-(3-aminopropylamino)ethanesulfonic acid;azane
CID 174955482
N'-(3-aminopropyl)butane-1,4-diamine;sulfuric acid
CID 157082496
3-amino-N-hydroxypropane-1-sulfonamide;hydrobromide
CID 45260204
N-methyl-2-(prop-2-ynylamino)ethanesulfonamide
CID 106333937
N'-[3-[3-[3-[3-[3-[3-(3-aminopropylamino)propylamino]propylamino]propylamino]propylamino]propylamino]propyl]propane-1,3-diamine
CID 22916506
N'-[3-[3-[3-(methylamino)propylamino]propylamino]propyl]propane-1,3-diamine
CID 20647748
N-[3-[4-(3-aminopropylamino)butylamino]propyl]pentane-1-sulfonamide
CID 88877324
N'-(3-(15N)azanylpropyl)(1,4-13C2)butane-1,4-di(15N2)amine
CID 10845260
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;N'-[2-(3-aminopropylamino)ethyl]propane-1,3-diamine
CID 23206687
N'-(2-aminoethyl)-N-(3-aminopropyl)butane-1,4-diamine
CID 118361903
N'-(3-aminopropyl)butane-1,4-diamine;N'-(3-aminopropyl)propane-1,3-diamine
CID 87964762

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropylamino)-N-methylethanesulfonamide?
The IUPAC name of 2-(3-aminopropylamino)-N-methylethanesulfonamide (CID 106333620) is 2-(3-aminopropylamino)-N-methylethanesulfonamide.
What is the SMILES notation for 2-(3-aminopropylamino)-N-methylethanesulfonamide?
The canonical SMILES for 2-(3-aminopropylamino)-N-methylethanesulfonamide is CNS(=O)(=O)CCNCCCN.
What is the InChIKey of 2-(3-aminopropylamino)-N-methylethanesulfonamide?
The InChIKey is OXFMZBYCBZKKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H17N3O2S/c1-8-12(10,11)6-5-9-4-2-3-7/h8-9H,2-7H2,1H3.
What are the key properties of 2-(3-aminopropylamino)-N-methylethanesulfonamide?
2-(3-aminopropylamino)-N-methylethanesulfonamide has a molecular weight of 195.29 g/mol, XLogP of -1.53, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropylamino)-N-methylethanesulfonamide is sourced from PubChem (CID 106333620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).