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

C10H22N4O3S — CID 61157441

IUPAC4-[(2S)-2-amino-4-methylpentanoyl]piperazine-1-sulfonamide
SMILESCC(C)C[C@H](N)C(=O)N1CCN(S(N)(=O)=O)CC1
InChIInChI=1S/C10H22N4O3S/c1-8(2)7-9(11)10(15)13-3-5-14(6-4-13)18(12,16)17/h8-9H,3-7,11H2,1-2H3,(H2,12,16,17)/t9-/m0/s1
InChIKeyRDQGIPHAFYFKGQ-VIFPVBQESA-N
MW278.38 g/mol
LogP-1.29
Rot. Bonds4

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

4-[(2S)-2-amino-4-methylpentanoyl]piperazine-1-sulfonamide (PubChem CID 61157441) has the molecular formula C10H22N4O3S and a molecular weight of 278.38 g/mol. Its IUPAC name is 4-[(2S)-2-amino-4-methylpentanoyl]piperazine-1-sulfonamide.

Molecular Properties

Compound Name4-[(2S)-2-amino-4-methylpentanoyl]piperazine-1-sulfonamide
PubChem CID61157441
Molecular FormulaC10H22N4O3S
Molecular Weight278.38 g/mol
Exact Mass278.14
IUPAC Name4-[(2S)-2-amino-4-methylpentanoyl]piperazine-1-sulfonamide
SMILESCC(C)C[C@H](N)C(=O)N1CCN(S(N)(=O)=O)CC1
InChIInChI=1S/C10H22N4O3S/c1-8(2)7-9(11)10(15)13-3-5-14(6-4-13)18(12,16)17/h8-9H,3-7,11H2,1-2H3,(H2,12,16,17)/t9-/m0/s1
InChIKeyRDQGIPHAFYFKGQ-VIFPVBQESA-N
XLogP-1.29
TPSA109.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 5-1.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-methyl-1-pyrrolidin-1-ylpentan-1-one
CID 20500850
(2S)-2-amino-4-methyl-1-piperidin-1-ylpentan-1-one
CID 22690990
(2S)-2-amino-1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-4-methylpentan-1-one;hydrochloride
CID 119730763
4-[(2S)-2-amino-3-methylbutanoyl]piperazine-1-sulfonamide
CID 61157442
4-[(2S)-2-amino-4-methylpentanoyl]-N,N-diethylpiperazine-1-carboxamide
CID 61162840
2-[4-[(2S)-2-amino-4-methylpentanoyl]piperazin-1-yl]propanoic acid
CID 62311109
(2S)-2-amino-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-4-methylpentan-1-one;hydrochloride
CID 119678714
(2S)-2-amino-1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-4-methylpentan-1-one;hydrochloride
CID 119678959
4-(3-aminobutanoyl)piperazine-1-sulfonamide
CID 61042216
2-amino-1-(4-hydroxypiperidin-1-yl)-4-methylpentan-1-one;hydrochloride
CID 47003200
(2S)-2-amino-4-methyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-one
CID 61259797
(2S)-2-amino-1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-4-methylpentan-1-one
CID 119687812

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-amino-4-methylpentanoyl]piperazine-1-sulfonamide?
The IUPAC name of 4-[(2S)-2-amino-4-methylpentanoyl]piperazine-1-sulfonamide (CID 61157441) is 4-[(2S)-2-amino-4-methylpentanoyl]piperazine-1-sulfonamide.
What is the SMILES notation for 4-[(2S)-2-amino-4-methylpentanoyl]piperazine-1-sulfonamide?
The canonical SMILES for 4-[(2S)-2-amino-4-methylpentanoyl]piperazine-1-sulfonamide is CC(C)C[C@H](N)C(=O)N1CCN(S(N)(=O)=O)CC1.
What is the InChIKey of 4-[(2S)-2-amino-4-methylpentanoyl]piperazine-1-sulfonamide?
The InChIKey is RDQGIPHAFYFKGQ-VIFPVBQESA-N. The full InChI is InChI=1S/C10H22N4O3S/c1-8(2)7-9(11)10(15)13-3-5-14(6-4-13)18(12,16)17/h8-9H,3-7,11H2,1-2H3,(H2,12,16,17)/t9-/m0/s1.
What are the key properties of 4-[(2S)-2-amino-4-methylpentanoyl]piperazine-1-sulfonamide?
4-[(2S)-2-amino-4-methylpentanoyl]piperazine-1-sulfonamide has a molecular weight of 278.38 g/mol, XLogP of -1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-amino-4-methylpentanoyl]piperazine-1-sulfonamide is sourced from PubChem (CID 61157441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).