4-(3-amino-2-methylpropyl)-N-(2-methylpropyl)piperazine-1-sulfonamide

C12H28N4O2S — CID 114813812

IUPAC4-(3-amino-2-methylpropyl)-N-(2-methylpropyl)piperazine-1-sulfonamide
SMILESCC(C)CNS(=O)(=O)N1CCN(CC(C)CN)CC1
InChIInChI=1S/C12H28N4O2S/c1-11(2)9-14-19(17,18)16-6-4-15(5-7-16)10-12(3)8-13/h11-12,14H,4-10,13H2,1-3H3
InChIKeyIYFUZZKUMNYYQH-UHFFFAOYSA-N
MW292.45 g/mol
LogP-0.31
Rot. Bonds7

About 4-(3-amino-2-methylpropyl)-N-(2-methylpropyl)piperazine-1-sulfonamide

4-(3-amino-2-methylpropyl)-N-(2-methylpropyl)piperazine-1-sulfonamide (PubChem CID 114813812) has the molecular formula C12H28N4O2S and a molecular weight of 292.45 g/mol. Its IUPAC name is 4-(3-amino-2-methylpropyl)-N-(2-methylpropyl)piperazine-1-sulfonamide.

Molecular Properties

Compound Name4-(3-amino-2-methylpropyl)-N-(2-methylpropyl)piperazine-1-sulfonamide
PubChem CID114813812
Molecular FormulaC12H28N4O2S
Molecular Weight292.45 g/mol
Exact Mass292.19
IUPAC Name4-(3-amino-2-methylpropyl)-N-(2-methylpropyl)piperazine-1-sulfonamide
SMILESCC(C)CNS(=O)(=O)N1CCN(CC(C)CN)CC1
InChIInChI=1S/C12H28N4O2S/c1-11(2)9-14-19(17,18)16-6-4-15(5-7-16)10-12(3)8-13/h11-12,14H,4-10,13H2,1-3H3
InChIKeyIYFUZZKUMNYYQH-UHFFFAOYSA-N
XLogP-0.31
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-2-methylpropyl)pyrrolidine-1-sulfonamide
CID 62667987
2-[4-(2-methylpropylsulfamoyl)piperazin-1-yl]ethanethioamide
CID 114815280
2-methyl-3-(4-propylsulfonylpiperazin-1-yl)propan-1-amine
CID 43252310
methyl N-[[4-(3-amino-2-methylpropyl)-1,4-diazepan-1-yl]sulfonyl]carbamate
CID 114461198
2-methyl-3-[4-(2-propan-2-ylsulfonylethyl)piperazin-1-yl]propan-1-amine
CID 106722640
3-(4-cyclohexylsulfonylpiperazin-1-yl)-2-methylpropan-1-amine
CID 61065292
N-(4-amino-2-methylbutyl)pyrrolidine-1-sulfonamide
CID 66090218
2-methyl-3-[4-(2-methylsulfonylethylsulfonyl)-1,4-diazepan-1-yl]propan-1-amine
CID 63244986
3-(4-benzylsulfonylpiperazin-1-yl)-2-methylpropan-1-amine
CID 43252306
4-amino-3-methyl-N-(2-methylpropyl)piperidine-1-sulfonamide
CID 114813739
3-amino-5-methyl-N-(2-methylpropyl)piperidine-1-sulfonamide
CID 114816194
2-methyl-3-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]propan-1-amine
CID 62375599

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-2-methylpropyl)-N-(2-methylpropyl)piperazine-1-sulfonamide?
The IUPAC name of 4-(3-amino-2-methylpropyl)-N-(2-methylpropyl)piperazine-1-sulfonamide (CID 114813812) is 4-(3-amino-2-methylpropyl)-N-(2-methylpropyl)piperazine-1-sulfonamide.
What is the SMILES notation for 4-(3-amino-2-methylpropyl)-N-(2-methylpropyl)piperazine-1-sulfonamide?
The canonical SMILES for 4-(3-amino-2-methylpropyl)-N-(2-methylpropyl)piperazine-1-sulfonamide is CC(C)CNS(=O)(=O)N1CCN(CC(C)CN)CC1.
What is the InChIKey of 4-(3-amino-2-methylpropyl)-N-(2-methylpropyl)piperazine-1-sulfonamide?
The InChIKey is IYFUZZKUMNYYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N4O2S/c1-11(2)9-14-19(17,18)16-6-4-15(5-7-16)10-12(3)8-13/h11-12,14H,4-10,13H2,1-3H3.
What are the key properties of 4-(3-amino-2-methylpropyl)-N-(2-methylpropyl)piperazine-1-sulfonamide?
4-(3-amino-2-methylpropyl)-N-(2-methylpropyl)piperazine-1-sulfonamide has a molecular weight of 292.45 g/mol, XLogP of -0.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-2-methylpropyl)-N-(2-methylpropyl)piperazine-1-sulfonamide is sourced from PubChem (CID 114813812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).