N-methyl-4-thiophen-2-ylsulfonylpiperazine-1-carbothioamide

C10H15N3O2S3 — CID 7944078

IUPACN-methyl-4-thiophen-2-ylsulfonylpiperazine-1-carbothioamide
SMILESCNC(=S)N1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C10H15N3O2S3/c1-11-10(16)12-4-6-13(7-5-12)18(14,15)9-3-2-8-17-9/h2-3,8H,4-7H2,1H3,(H,11,16)
InChIKeySOTNAODGDITNQC-UHFFFAOYSA-N
MW305.45 g/mol
LogP0.56
Rot. Bonds2

About N-methyl-4-thiophen-2-ylsulfonylpiperazine-1-carbothioamide

N-methyl-4-thiophen-2-ylsulfonylpiperazine-1-carbothioamide (PubChem CID 7944078) has the molecular formula C10H15N3O2S3 and a molecular weight of 305.45 g/mol. Its IUPAC name is N-methyl-4-thiophen-2-ylsulfonylpiperazine-1-carbothioamide.

Molecular Properties

Compound NameN-methyl-4-thiophen-2-ylsulfonylpiperazine-1-carbothioamide
PubChem CID7944078
Molecular FormulaC10H15N3O2S3
Molecular Weight305.45 g/mol
Exact Mass305.03
IUPAC NameN-methyl-4-thiophen-2-ylsulfonylpiperazine-1-carbothioamide
SMILESCNC(=S)N1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C10H15N3O2S3/c1-11-10(16)12-4-6-13(7-5-12)18(14,15)9-3-2-8-17-9/h2-3,8H,4-7H2,1H3,(H,11,16)
InChIKeySOTNAODGDITNQC-UHFFFAOYSA-N
XLogP0.56
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-(4-phenoxyphenyl)-4-thiophen-2-ylsulfonylpiperazine-1-carbothioamide
CID 2502086
methyl 4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)benzoate
CID 9496457
1-thiophen-2-ylsulfonylpiperidine
CID 765823
N-[4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)phenyl]methanesulfonamide
CID 42087714
(2-hydroxyphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 38068353
(3S)-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 92802328
(1S,6R)-3,4-dimethyl-6-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid
CID 27524803
3,4-dimethyl-6-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid
CID 17377442
4-thiophen-2-ylsulfonylthiomorpholine
CID 128941068
1-butylsulfonyl-4-thiophen-2-ylsulfonylpiperazine
CID 6464966
cyclobutyl-[4-(1-thiophen-2-ylsulfonylpiperidine-4-carbonyl)piperazin-1-yl]methanone
CID 56510993
N-[4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 3497946

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-thiophen-2-ylsulfonylpiperazine-1-carbothioamide?
The IUPAC name of N-methyl-4-thiophen-2-ylsulfonylpiperazine-1-carbothioamide (CID 7944078) is N-methyl-4-thiophen-2-ylsulfonylpiperazine-1-carbothioamide.
What is the SMILES notation for N-methyl-4-thiophen-2-ylsulfonylpiperazine-1-carbothioamide?
The canonical SMILES for N-methyl-4-thiophen-2-ylsulfonylpiperazine-1-carbothioamide is CNC(=S)N1CCN(S(=O)(=O)c2cccs2)CC1.
What is the InChIKey of N-methyl-4-thiophen-2-ylsulfonylpiperazine-1-carbothioamide?
The InChIKey is SOTNAODGDITNQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S3/c1-11-10(16)12-4-6-13(7-5-12)18(14,15)9-3-2-8-17-9/h2-3,8H,4-7H2,1H3,(H,11,16).
What are the key properties of N-methyl-4-thiophen-2-ylsulfonylpiperazine-1-carbothioamide?
N-methyl-4-thiophen-2-ylsulfonylpiperazine-1-carbothioamide has a molecular weight of 305.45 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-thiophen-2-ylsulfonylpiperazine-1-carbothioamide is sourced from PubChem (CID 7944078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).