N-cyclopropyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine-1-carbothioamide

C18H25N3O2S2 — CID 8813036

IUPACN-cyclopropyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine-1-carbothioamide
SMILESO=S(=O)(c1ccc2c(c1)CCCC2)N1CCN(C(=S)NC2CC2)CC1
InChIInChI=1S/C18H25N3O2S2/c22-25(23,17-8-5-14-3-1-2-4-15(14)13-17)21-11-9-20(10-12-21)18(24)19-16-6-7-16/h5,8,13,16H,1-4,6-7,9-12H2,(H,19,24)
InChIKeyLRJWUSGBWFKNCB-UHFFFAOYSA-N
MW379.55 g/mol
LogP1.91
Rot. Bonds3

About N-cyclopropyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine-1-carbothioamide

N-cyclopropyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine-1-carbothioamide (PubChem CID 8813036) has the molecular formula C18H25N3O2S2 and a molecular weight of 379.55 g/mol. Its IUPAC name is N-cyclopropyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine-1-carbothioamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine-1-carbothioamide
PubChem CID8813036
Molecular FormulaC18H25N3O2S2
Molecular Weight379.55 g/mol
Exact Mass379.14
IUPAC NameN-cyclopropyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine-1-carbothioamide
SMILESO=S(=O)(c1ccc2c(c1)CCCC2)N1CCN(C(=S)NC2CC2)CC1
InChIInChI=1S/C18H25N3O2S2/c22-25(23,17-8-5-14-3-1-2-4-15(14)13-17)21-11-9-20(10-12-21)18(24)19-16-6-7-16/h5,8,13,16H,1-4,6-7,9-12H2,(H,19,24)
InChIKeyLRJWUSGBWFKNCB-UHFFFAOYSA-N
XLogP1.91
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.55
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-cyclopropyl-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-ium-1-yl]propanamide
CID 8556538
4-(3-chlorophenyl)sulfonyl-N-cyclopropylpiperazine-1-carbothioamide
CID 8745836
cyclobutyl-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]methanone
CID 8641227
4-(3-chlorophenyl)sulfonyl-N-cyclohexylpiperazine-1-carbothioamide
CID 8745764
N-(cyclopentylcarbamoyl)-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]propanamide
CID 46650122
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-methylpiperazine
CID 32737600
methyl 4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine-1-carboxylate
CID 110818539
1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-amine
CID 28804108
N-phenyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine-1-carboxamide
CID 43001394
N-cyclohexyl-4-(4-ethoxyphenyl)sulfonylpiperazine-1-carbothioamide
CID 8745095
3,3-dimethyl-1-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]butan-1-one
CID 24543782
[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-piperidin-4-ylmethanone;hydrochloride
CID 119270351

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine-1-carbothioamide?
The IUPAC name of N-cyclopropyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine-1-carbothioamide (CID 8813036) is N-cyclopropyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine-1-carbothioamide.
What is the SMILES notation for N-cyclopropyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine-1-carbothioamide?
The canonical SMILES for N-cyclopropyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine-1-carbothioamide is O=S(=O)(c1ccc2c(c1)CCCC2)N1CCN(C(=S)NC2CC2)CC1.
What is the InChIKey of N-cyclopropyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine-1-carbothioamide?
The InChIKey is LRJWUSGBWFKNCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2S2/c22-25(23,17-8-5-14-3-1-2-4-15(14)13-17)21-11-9-20(10-12-21)18(24)19-16-6-7-16/h5,8,13,16H,1-4,6-7,9-12H2,(H,19,24).
What are the key properties of N-cyclopropyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine-1-carbothioamide?
N-cyclopropyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine-1-carbothioamide has a molecular weight of 379.55 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine-1-carbothioamide is sourced from PubChem (CID 8813036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).