(3S)-3-[4-(5-chlorothiophen-2-yl)-2-methylpiperazine-1-carbonyl]-N-hydroxypentanamide

C15H22ClN3O3S — CID 143172610

IUPAC(3S)-3-[4-(5-chlorothiophen-2-yl)-2-methylpiperazine-1-carbonyl]-N-hydroxypentanamide
SMILESCC[C@@H](CC(=O)NO)C(=O)N1CCN(c2ccc(Cl)s2)CC1C
InChIInChI=1S/C15H22ClN3O3S/c1-3-11(8-13(20)17-22)15(21)19-7-6-18(9-10(19)2)14-5-4-12(16)23-14/h4-5,10-11,22H,3,6-9H2,1-2H3,(H,17,20)/t10?,11-/m0/s1
InChIKeyFPZKYYUSUWWYDD-DTIOYNMSSA-N
MW359.88 g/mol
LogP2.36
Rot. Bonds5

About (3S)-3-[4-(5-chlorothiophen-2-yl)-2-methylpiperazine-1-carbonyl]-N-hydroxypentanamide

(3S)-3-[4-(5-chlorothiophen-2-yl)-2-methylpiperazine-1-carbonyl]-N-hydroxypentanamide (PubChem CID 143172610) has the molecular formula C15H22ClN3O3S and a molecular weight of 359.88 g/mol. Its IUPAC name is (3S)-3-[4-(5-chlorothiophen-2-yl)-2-methylpiperazine-1-carbonyl]-N-hydroxypentanamide.

Molecular Properties

Compound Name(3S)-3-[4-(5-chlorothiophen-2-yl)-2-methylpiperazine-1-carbonyl]-N-hydroxypentanamide
PubChem CID143172610
Molecular FormulaC15H22ClN3O3S
Molecular Weight359.88 g/mol
Exact Mass359.11
IUPAC Name(3S)-3-[4-(5-chlorothiophen-2-yl)-2-methylpiperazine-1-carbonyl]-N-hydroxypentanamide
SMILESCC[C@@H](CC(=O)NO)C(=O)N1CCN(c2ccc(Cl)s2)CC1C
InChIInChI=1S/C15H22ClN3O3S/c1-3-11(8-13(20)17-22)15(21)19-7-6-18(9-10(19)2)14-5-4-12(16)23-14/h4-5,10-11,22H,3,6-9H2,1-2H3,(H,17,20)/t10?,11-/m0/s1
InChIKeyFPZKYYUSUWWYDD-DTIOYNMSSA-N
XLogP2.36
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.88
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[4-(5-chlorothiophen-2-yl)-2-methylpiperazine-1-carbonyl]-N-hydroxypentanamide?
The IUPAC name of (3S)-3-[4-(5-chlorothiophen-2-yl)-2-methylpiperazine-1-carbonyl]-N-hydroxypentanamide (CID 143172610) is (3S)-3-[4-(5-chlorothiophen-2-yl)-2-methylpiperazine-1-carbonyl]-N-hydroxypentanamide.
What is the SMILES notation for (3S)-3-[4-(5-chlorothiophen-2-yl)-2-methylpiperazine-1-carbonyl]-N-hydroxypentanamide?
The canonical SMILES for (3S)-3-[4-(5-chlorothiophen-2-yl)-2-methylpiperazine-1-carbonyl]-N-hydroxypentanamide is CC[C@@H](CC(=O)NO)C(=O)N1CCN(c2ccc(Cl)s2)CC1C.
What is the InChIKey of (3S)-3-[4-(5-chlorothiophen-2-yl)-2-methylpiperazine-1-carbonyl]-N-hydroxypentanamide?
The InChIKey is FPZKYYUSUWWYDD-DTIOYNMSSA-N. The full InChI is InChI=1S/C15H22ClN3O3S/c1-3-11(8-13(20)17-22)15(21)19-7-6-18(9-10(19)2)14-5-4-12(16)23-14/h4-5,10-11,22H,3,6-9H2,1-2H3,(H,17,20)/t10?,11-/m0/s1.
What are the key properties of (3S)-3-[4-(5-chlorothiophen-2-yl)-2-methylpiperazine-1-carbonyl]-N-hydroxypentanamide?
(3S)-3-[4-(5-chlorothiophen-2-yl)-2-methylpiperazine-1-carbonyl]-N-hydroxypentanamide has a molecular weight of 359.88 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[4-(5-chlorothiophen-2-yl)-2-methylpiperazine-1-carbonyl]-N-hydroxypentanamide is sourced from PubChem (CID 143172610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).