(6-methyl-3-pyridinyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone

C15H17N3O3S2 — CID 18148460

IUPAC(6-methyl-3-pyridinyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
SMILESCc1ccc(C(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)cn1
InChIInChI=1S/C15H17N3O3S2/c1-12-4-5-13(11-16-12)15(19)17-6-8-18(9-7-17)23(20,21)14-3-2-10-22-14/h2-5,10-11H,6-9H2,1H3
InChIKeyRNRFSRZBCGWAQD-UHFFFAOYSA-N
MW351.45 g/mol
LogP1.60
Rot. Bonds3

About (6-methyl-3-pyridinyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone

(6-methyl-3-pyridinyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone (PubChem CID 18148460) has the molecular formula C15H17N3O3S2 and a molecular weight of 351.45 g/mol. Its IUPAC name is (6-methyl-3-pyridinyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(6-methyl-3-pyridinyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
PubChem CID18148460
Molecular FormulaC15H17N3O3S2
Molecular Weight351.45 g/mol
Exact Mass351.07
IUPAC Name(6-methyl-3-pyridinyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
SMILESCc1ccc(C(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)cn1
InChIInChI=1S/C15H17N3O3S2/c1-12-4-5-13(11-16-12)15(19)17-6-8-18(9-7-17)23(20,21)14-3-2-10-22-14/h2-5,10-11H,6-9H2,1H3
InChIKeyRNRFSRZBCGWAQD-UHFFFAOYSA-N
XLogP1.60
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methylphenyl)-(4-thiophen-2-ylsulfonyl-1,4-diazepan-1-yl)methanone
CID 110798322
methyl 4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)benzoate
CID 9496457
[4-(2,5-dimethylpyrrol-1-yl)phenyl]-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 4785102
N-[4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)phenyl]methanesulfonamide
CID 42087714
(6-methyl-3-pyridinyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone
CID 18148430
4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)benzenecarboximidamide
CID 18382172
(4,5-dimethylthiophen-2-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 17024355
(3-methylfuran-2-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 17410586
(5-ethylthiophen-3-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 17217513
(2,5-dimethylphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 8924469
(2-hydroxyphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 38068353
pyrazin-2-yl-(4-thiophen-2-ylsulfonyl-1,4-diazepan-1-yl)methanone
CID 110810480

Frequently Asked Questions

What is the IUPAC name of (6-methyl-3-pyridinyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone?
The IUPAC name of (6-methyl-3-pyridinyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone (CID 18148460) is (6-methyl-3-pyridinyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone.
What is the SMILES notation for (6-methyl-3-pyridinyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone?
The canonical SMILES for (6-methyl-3-pyridinyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone is Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)cn1.
What is the InChIKey of (6-methyl-3-pyridinyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone?
The InChIKey is RNRFSRZBCGWAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S2/c1-12-4-5-13(11-16-12)15(19)17-6-8-18(9-7-17)23(20,21)14-3-2-10-22-14/h2-5,10-11H,6-9H2,1H3.
What are the key properties of (6-methyl-3-pyridinyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone?
(6-methyl-3-pyridinyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone has a molecular weight of 351.45 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-3-pyridinyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone is sourced from PubChem (CID 18148460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).