4-[(2S)-2-amino-3-methylbutanoyl]piperazine-1-sulfonamide

C9H20N4O3S — CID 61157442

IUPAC4-[(2S)-2-amino-3-methylbutanoyl]piperazine-1-sulfonamide
SMILESCC(C)[C@H](N)C(=O)N1CCN(S(N)(=O)=O)CC1
InChIInChI=1S/C9H20N4O3S/c1-7(2)8(10)9(14)12-3-5-13(6-4-12)17(11,15)16/h7-8H,3-6,10H2,1-2H3,(H2,11,15,16)/t8-/m0/s1
InChIKeyJOJPBLAEPXIYSL-QMMMGPOBSA-N
MW264.35 g/mol
LogP-1.68
Rot. Bonds3

About 4-[(2S)-2-amino-3-methylbutanoyl]piperazine-1-sulfonamide

4-[(2S)-2-amino-3-methylbutanoyl]piperazine-1-sulfonamide (PubChem CID 61157442) has the molecular formula C9H20N4O3S and a molecular weight of 264.35 g/mol. Its IUPAC name is 4-[(2S)-2-amino-3-methylbutanoyl]piperazine-1-sulfonamide.

Molecular Properties

Compound Name4-[(2S)-2-amino-3-methylbutanoyl]piperazine-1-sulfonamide
PubChem CID61157442
Molecular FormulaC9H20N4O3S
Molecular Weight264.35 g/mol
Exact Mass264.13
IUPAC Name4-[(2S)-2-amino-3-methylbutanoyl]piperazine-1-sulfonamide
SMILESCC(C)[C@H](N)C(=O)N1CCN(S(N)(=O)=O)CC1
InChIInChI=1S/C9H20N4O3S/c1-7(2)8(10)9(14)12-3-5-13(6-4-12)17(11,15)16/h7-8H,3-6,10H2,1-2H3,(H2,11,15,16)/t8-/m0/s1
InChIKeyJOJPBLAEPXIYSL-QMMMGPOBSA-N
XLogP-1.68
TPSA109.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 5-1.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-3-methyl-1-(4-methylsulfonyl-1,4-diazepan-1-yl)butan-1-one
CID 119277994
4-[(2S)-2-amino-3-methylbutanoyl]piperazine-1-carboxylic acid
CID 141387551
4-[(2S)-2-amino-4-methylpentanoyl]piperazine-1-sulfonamide
CID 61157441
4-(2-cyclopropylpropanoyl)piperazine-1-sulfonamide
CID 79506671
4-(3-aminobutanoyl)piperazine-1-sulfonamide
CID 61042216
2-amino-1-[4-(2-methoxyacetyl)piperazin-1-yl]-3-methylbutan-1-one
CID 54872163
(2R)-2-amino-3-methyl-1-thiomorpholin-4-ylbutan-1-one
CID 28787387
2-amino-3-methyl-1-thiomorpholin-4-ylbutan-1-one
CID 43210684
2-amino-3-methyl-1-morpholin-4-ylbutan-1-one
CID 22492154
(2S)-2-amino-3-methyl-1-(4-methyl-1,4-diazepan-1-yl)butan-1-one
CID 28745495
2-amino-3-methyl-1-[4-(2-methylpropyl)piperazin-1-yl]butan-1-one
CID 60962672
2-amino-1-(4,4-dimethylpiperidin-1-yl)-3-methylbutan-1-one
CID 62930579

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-amino-3-methylbutanoyl]piperazine-1-sulfonamide?
The IUPAC name of 4-[(2S)-2-amino-3-methylbutanoyl]piperazine-1-sulfonamide (CID 61157442) is 4-[(2S)-2-amino-3-methylbutanoyl]piperazine-1-sulfonamide.
What is the SMILES notation for 4-[(2S)-2-amino-3-methylbutanoyl]piperazine-1-sulfonamide?
The canonical SMILES for 4-[(2S)-2-amino-3-methylbutanoyl]piperazine-1-sulfonamide is CC(C)[C@H](N)C(=O)N1CCN(S(N)(=O)=O)CC1.
What is the InChIKey of 4-[(2S)-2-amino-3-methylbutanoyl]piperazine-1-sulfonamide?
The InChIKey is JOJPBLAEPXIYSL-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H20N4O3S/c1-7(2)8(10)9(14)12-3-5-13(6-4-12)17(11,15)16/h7-8H,3-6,10H2,1-2H3,(H2,11,15,16)/t8-/m0/s1.
What are the key properties of 4-[(2S)-2-amino-3-methylbutanoyl]piperazine-1-sulfonamide?
4-[(2S)-2-amino-3-methylbutanoyl]piperazine-1-sulfonamide has a molecular weight of 264.35 g/mol, XLogP of -1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-amino-3-methylbutanoyl]piperazine-1-sulfonamide is sourced from PubChem (CID 61157442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).