N-tert-butyl-4-(5-methylthiophen-2-yl)sulfonylpiperazine-1-carboxamide

C14H23N3O3S2 — CID 110811127

IUPACN-tert-butyl-4-(5-methylthiophen-2-yl)sulfonylpiperazine-1-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)NC(C)(C)C)CC2)s1
InChIInChI=1S/C14H23N3O3S2/c1-11-5-6-12(21-11)22(19,20)17-9-7-16(8-10-17)13(18)15-14(2,3)4/h5-6H,7-10H2,1-4H3,(H,15,18)
InChIKeyDUUYVTXGAHBBBP-UHFFFAOYSA-N
MW345.49 g/mol
LogP1.87
Rot. Bonds2

About N-tert-butyl-4-(5-methylthiophen-2-yl)sulfonylpiperazine-1-carboxamide

N-tert-butyl-4-(5-methylthiophen-2-yl)sulfonylpiperazine-1-carboxamide (PubChem CID 110811127) has the molecular formula C14H23N3O3S2 and a molecular weight of 345.49 g/mol. Its IUPAC name is N-tert-butyl-4-(5-methylthiophen-2-yl)sulfonylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-4-(5-methylthiophen-2-yl)sulfonylpiperazine-1-carboxamide
PubChem CID110811127
Molecular FormulaC14H23N3O3S2
Molecular Weight345.49 g/mol
Exact Mass345.12
IUPAC NameN-tert-butyl-4-(5-methylthiophen-2-yl)sulfonylpiperazine-1-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)NC(C)(C)C)CC2)s1
InChIInChI=1S/C14H23N3O3S2/c1-11-5-6-12(21-11)22(19,20)17-9-7-16(8-10-17)13(18)15-14(2,3)4/h5-6H,7-10H2,1-4H3,(H,15,18)
InChIKeyDUUYVTXGAHBBBP-UHFFFAOYSA-N
XLogP1.87
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]propanamide
CID 17457260
4-(5-methylthiophen-2-yl)sulfonyl-N-[(2R)-pentan-2-yl]piperazine-1-carboxamide
CID 51935304
N-tert-butyl-4-(4-chlorophenyl)sulfonylpiperazine-1-carboxamide
CID 110811078
[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 110805245
[4-(5-methylthiophen-2-yl)sulfonyl-1,4-diazepan-1-yl]-phenylmethanone
CID 110798201
(2,5-dimethyl-1H-pyrrol-3-yl)-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone
CID 110805246
(5-fluoro-1-benzothiophen-2-yl)-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone
CID 24680701
1-(5-methylthiophen-2-yl)-7-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]heptane-1,4,7-trione
CID 43073096
1-(2-tert-butylphenyl)-4-(5-methylthiophen-2-yl)sulfonylpiperazine
CID 113076523
2-(4-methylphenyl)sulfanyl-1-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]ethanone
CID 46566261
(2,4-dichlorophenyl)-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone
CID 33049140
(3R)-3-[4-(5-methylthiophen-2-yl)sulfonylpiperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
CID 33179413

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(5-methylthiophen-2-yl)sulfonylpiperazine-1-carboxamide?
The IUPAC name of N-tert-butyl-4-(5-methylthiophen-2-yl)sulfonylpiperazine-1-carboxamide (CID 110811127) is N-tert-butyl-4-(5-methylthiophen-2-yl)sulfonylpiperazine-1-carboxamide.
What is the SMILES notation for N-tert-butyl-4-(5-methylthiophen-2-yl)sulfonylpiperazine-1-carboxamide?
The canonical SMILES for N-tert-butyl-4-(5-methylthiophen-2-yl)sulfonylpiperazine-1-carboxamide is Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC(C)(C)C)CC2)s1.
What is the InChIKey of N-tert-butyl-4-(5-methylthiophen-2-yl)sulfonylpiperazine-1-carboxamide?
The InChIKey is DUUYVTXGAHBBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S2/c1-11-5-6-12(21-11)22(19,20)17-9-7-16(8-10-17)13(18)15-14(2,3)4/h5-6H,7-10H2,1-4H3,(H,15,18).
What are the key properties of N-tert-butyl-4-(5-methylthiophen-2-yl)sulfonylpiperazine-1-carboxamide?
N-tert-butyl-4-(5-methylthiophen-2-yl)sulfonylpiperazine-1-carboxamide has a molecular weight of 345.49 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(5-methylthiophen-2-yl)sulfonylpiperazine-1-carboxamide is sourced from PubChem (CID 110811127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).