N-[1-(dimethylamino)propan-2-yl]-1-(methylamino)propane-2-sulfonamide

C9H23N3O2S — CID 106074397

IUPACN-[1-(dimethylamino)propan-2-yl]-1-(methylamino)propane-2-sulfonamide
SMILESCNCC(C)S(=O)(=O)NC(C)CN(C)C
InChIInChI=1S/C9H23N3O2S/c1-8(7-12(4)5)11-15(13,14)9(2)6-10-3/h8-11H,6-7H2,1-5H3
InChIKeyCZTOEEDRAXWUHC-UHFFFAOYSA-N
MW237.37 g/mol
LogP-0.54
Rot. Bonds7

About N-[1-(dimethylamino)propan-2-yl]-1-(methylamino)propane-2-sulfonamide

N-[1-(dimethylamino)propan-2-yl]-1-(methylamino)propane-2-sulfonamide (PubChem CID 106074397) has the molecular formula C9H23N3O2S and a molecular weight of 237.37 g/mol. Its IUPAC name is N-[1-(dimethylamino)propan-2-yl]-1-(methylamino)propane-2-sulfonamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)propan-2-yl]-1-(methylamino)propane-2-sulfonamide
PubChem CID106074397
Molecular FormulaC9H23N3O2S
Molecular Weight237.37 g/mol
Exact Mass237.15
IUPAC NameN-[1-(dimethylamino)propan-2-yl]-1-(methylamino)propane-2-sulfonamide
SMILESCNCC(C)S(=O)(=O)NC(C)CN(C)C
InChIInChI=1S/C9H23N3O2S/c1-8(7-12(4)5)11-15(13,14)9(2)6-10-3/h8-11H,6-7H2,1-5H3
InChIKeyCZTOEEDRAXWUHC-UHFFFAOYSA-N
XLogP-0.54
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclopropylamino)-N-[1-(dimethylamino)propan-2-yl]propane-2-sulfonamide
CID 106074303
N-[1-(dimethylamino)propan-2-yl]-2-hydroxyethanesulfonamide
CID 82939293
N-[1-(dimethylamino)-4-methylpentan-2-yl]-1-(propylamino)propane-2-sulfonamide
CID 106010670
1-(methylamino)-N-[4-[methyl(propan-2-yl)amino]butyl]propane-2-sulfonamide
CID 106052815
1-(methylamino)-N-[1-(2H-tetrazol-5-yl)ethyl]propane-2-sulfonamide
CID 106051381
1-(methylamino)-N-(4-methylpiperazin-1-yl)propane-2-sulfonamide
CID 106075520
4-amino-N-[1-(dimethylamino)propan-2-yl]butane-1-sulfonamide
CID 82945449
1-(methylamino)-N-(2,3,4,5,6-pentafluorophenyl)propane-2-sulfonamide
CID 106074521
N-[1-(diethylamino)propan-2-yl]propane-2-sulfonamide
CID 64584579
sodium;hydride;1-(methylamino)propane-2-sulfonic acid
CID 174188529
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(methylamino)propane-2-sulfonamide
CID 106059663
N-[1-(dimethylamino)propan-2-yl]-2-methyl-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106074298

Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)propan-2-yl]-1-(methylamino)propane-2-sulfonamide?
The IUPAC name of N-[1-(dimethylamino)propan-2-yl]-1-(methylamino)propane-2-sulfonamide (CID 106074397) is N-[1-(dimethylamino)propan-2-yl]-1-(methylamino)propane-2-sulfonamide.
What is the SMILES notation for N-[1-(dimethylamino)propan-2-yl]-1-(methylamino)propane-2-sulfonamide?
The canonical SMILES for N-[1-(dimethylamino)propan-2-yl]-1-(methylamino)propane-2-sulfonamide is CNCC(C)S(=O)(=O)NC(C)CN(C)C.
What is the InChIKey of N-[1-(dimethylamino)propan-2-yl]-1-(methylamino)propane-2-sulfonamide?
The InChIKey is CZTOEEDRAXWUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H23N3O2S/c1-8(7-12(4)5)11-15(13,14)9(2)6-10-3/h8-11H,6-7H2,1-5H3.
What are the key properties of N-[1-(dimethylamino)propan-2-yl]-1-(methylamino)propane-2-sulfonamide?
N-[1-(dimethylamino)propan-2-yl]-1-(methylamino)propane-2-sulfonamide has a molecular weight of 237.37 g/mol, XLogP of -0.54, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)propan-2-yl]-1-(methylamino)propane-2-sulfonamide is sourced from PubChem (CID 106074397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).