2-[3-[methyl(propan-2-yl)amino]propylamino]ethanesulfonamide

C9H23N3O2S — CID 106044314

IUPAC2-[3-[methyl(propan-2-yl)amino]propylamino]ethanesulfonamide
SMILESCC(C)N(C)CCCNCCS(N)(=O)=O
InChIInChI=1S/C9H23N3O2S/c1-9(2)12(3)7-4-5-11-6-8-15(10,13)14/h9,11H,4-8H2,1-3H3,(H2,10,13,14)
InChIKeyVZXDAHXPNCBXMW-UHFFFAOYSA-N
MW237.37 g/mol
LogP-0.41
Rot. Bonds8

About 2-[3-[methyl(propan-2-yl)amino]propylamino]ethanesulfonamide

2-[3-[methyl(propan-2-yl)amino]propylamino]ethanesulfonamide (PubChem CID 106044314) has the molecular formula C9H23N3O2S and a molecular weight of 237.37 g/mol. Its IUPAC name is 2-[3-[methyl(propan-2-yl)amino]propylamino]ethanesulfonamide.

Molecular Properties

Compound Name2-[3-[methyl(propan-2-yl)amino]propylamino]ethanesulfonamide
PubChem CID106044314
Molecular FormulaC9H23N3O2S
Molecular Weight237.37 g/mol
Exact Mass237.15
IUPAC Name2-[3-[methyl(propan-2-yl)amino]propylamino]ethanesulfonamide
SMILESCC(C)N(C)CCCNCCS(N)(=O)=O
InChIInChI=1S/C9H23N3O2S/c1-9(2)12(3)7-4-5-11-6-8-15(10,13)14/h9,11H,4-8H2,1-3H3,(H2,10,13,14)
InChIKeyVZXDAHXPNCBXMW-UHFFFAOYSA-N
XLogP-0.41
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[3-[methyl(propan-2-yl)amino]propylamino]butan-1-ol
CID 106045730
2-(pentylamino)ethanesulfonamide
CID 43551719
N'-methyl-N'-propan-2-yl-N-(3-propan-2-yloxypropyl)propane-1,3-diamine
CID 176860876
N'-[3-[methyl(propan-2-yl)amino]propyl]-N-[3-(propan-2-ylamino)propyl]butane-1,4-diamine
CID 138492017
N'-methyl-N'-propan-2-yl-N-(4,4,4-trifluorobutyl)propane-1,3-diamine
CID 106045632
N'-methyl-N'-propan-2-yl-N-(3,3,3-trifluoropropyl)propane-1,3-diamine
CID 106045562
N'-hydroxy-3-[3-[methyl(propan-2-yl)amino]propylamino]propanimidamide
CID 106034016
2-[2-[3-[methyl(propan-2-yl)amino]propylamino]ethoxy]ethanol
CID 106045693
N',N'-dimethyl-N-[2-(3-methylbutan-2-ylsulfonyl)ethyl]propane-1,3-diamine
CID 107757347
N-methyl-2-[3-[methyl(propan-2-yl)amino]propylamino]acetamide
CID 106045584
ethyl (E)-4-[3-[methyl(propan-2-yl)amino]propylamino]but-2-enoate
CID 106036662
N-[4-[methyl(propan-2-yl)amino]butyl]formamide
CID 64991998

Frequently Asked Questions

What is the IUPAC name of 2-[3-[methyl(propan-2-yl)amino]propylamino]ethanesulfonamide?
The IUPAC name of 2-[3-[methyl(propan-2-yl)amino]propylamino]ethanesulfonamide (CID 106044314) is 2-[3-[methyl(propan-2-yl)amino]propylamino]ethanesulfonamide.
What is the SMILES notation for 2-[3-[methyl(propan-2-yl)amino]propylamino]ethanesulfonamide?
The canonical SMILES for 2-[3-[methyl(propan-2-yl)amino]propylamino]ethanesulfonamide is CC(C)N(C)CCCNCCS(N)(=O)=O.
What is the InChIKey of 2-[3-[methyl(propan-2-yl)amino]propylamino]ethanesulfonamide?
The InChIKey is VZXDAHXPNCBXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H23N3O2S/c1-9(2)12(3)7-4-5-11-6-8-15(10,13)14/h9,11H,4-8H2,1-3H3,(H2,10,13,14).
What are the key properties of 2-[3-[methyl(propan-2-yl)amino]propylamino]ethanesulfonamide?
2-[3-[methyl(propan-2-yl)amino]propylamino]ethanesulfonamide has a molecular weight of 237.37 g/mol, XLogP of -0.41, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[methyl(propan-2-yl)amino]propylamino]ethanesulfonamide is sourced from PubChem (CID 106044314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).