2-[(1-ethylcyclopentyl)methylsulfamoyl]butanethioamide

C12H24N2O2S2 — CID 114125521

IUPAC2-[(1-ethylcyclopentyl)methylsulfamoyl]butanethioamide
SMILESCCC(C(N)=S)S(=O)(=O)NCC1(CC)CCCC1
InChIInChI=1S/C12H24N2O2S2/c1-3-10(11(13)17)18(15,16)14-9-12(4-2)7-5-6-8-12/h10,14H,3-9H2,1-2H3,(H2,13,17)
InChIKeyOHTATFPVVWMKOW-UHFFFAOYSA-N
MW292.47 g/mol
LogP1.94
Rot. Bonds7

About 2-[(1-ethylcyclopentyl)methylsulfamoyl]butanethioamide

2-[(1-ethylcyclopentyl)methylsulfamoyl]butanethioamide (PubChem CID 114125521) has the molecular formula C12H24N2O2S2 and a molecular weight of 292.47 g/mol. Its IUPAC name is 2-[(1-ethylcyclopentyl)methylsulfamoyl]butanethioamide.

Molecular Properties

Compound Name2-[(1-ethylcyclopentyl)methylsulfamoyl]butanethioamide
PubChem CID114125521
Molecular FormulaC12H24N2O2S2
Molecular Weight292.47 g/mol
Exact Mass292.13
IUPAC Name2-[(1-ethylcyclopentyl)methylsulfamoyl]butanethioamide
SMILESCCC(C(N)=S)S(=O)(=O)NCC1(CC)CCCC1
InChIInChI=1S/C12H24N2O2S2/c1-3-10(11(13)17)18(15,16)14-9-12(4-2)7-5-6-8-12/h10,14H,3-9H2,1-2H3,(H2,13,17)
InChIKeyOHTATFPVVWMKOW-UHFFFAOYSA-N
XLogP1.94
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-1-[(sulfamoylamino)methyl]cyclopentane
CID 71918763
1-cyano-N-[[1-(hydroxymethyl)cyclopentyl]methyl]propane-1-sulfonamide
CID 115360444
2-[[1-(dimethylamino)cyclopentyl]methylsulfamoyl]propanethioamide
CID 83120473
2-(2-propan-2-yloxyethylsulfamoyl)butanethioamide
CID 104761749
4-amino-N-[(1-ethylcyclopentyl)methyl]butane-1-sulfonamide
CID 114124982
1-amino-1-sulfanylidenebutane-2-sulfonic acid
CID 151185934
2-(7-methyloctylsulfamoyl)butanethioamide
CID 107815257
2-[(2-methyloxolan-3-yl)methylsulfamoyl]butanethioamide
CID 114105822
2-carbamothioyl-N-[(1-ethylcyclopentyl)methyl]-2-methylbutanamide
CID 114125492
methyl 2-[[1-(hydroxymethyl)cyclohexyl]methylsulfamoyl]propanoate
CID 103969014
2-amino-N-[(1-ethylcyclopentyl)methyl]acetamide
CID 103797853
3-(aminomethyl)-N-[(1-ethylcyclopentyl)methyl]pentanamide
CID 114125108

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylcyclopentyl)methylsulfamoyl]butanethioamide?
The IUPAC name of 2-[(1-ethylcyclopentyl)methylsulfamoyl]butanethioamide (CID 114125521) is 2-[(1-ethylcyclopentyl)methylsulfamoyl]butanethioamide.
What is the SMILES notation for 2-[(1-ethylcyclopentyl)methylsulfamoyl]butanethioamide?
The canonical SMILES for 2-[(1-ethylcyclopentyl)methylsulfamoyl]butanethioamide is CCC(C(N)=S)S(=O)(=O)NCC1(CC)CCCC1.
What is the InChIKey of 2-[(1-ethylcyclopentyl)methylsulfamoyl]butanethioamide?
The InChIKey is OHTATFPVVWMKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S2/c1-3-10(11(13)17)18(15,16)14-9-12(4-2)7-5-6-8-12/h10,14H,3-9H2,1-2H3,(H2,13,17).
What are the key properties of 2-[(1-ethylcyclopentyl)methylsulfamoyl]butanethioamide?
2-[(1-ethylcyclopentyl)methylsulfamoyl]butanethioamide has a molecular weight of 292.47 g/mol, XLogP of 1.94, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylcyclopentyl)methylsulfamoyl]butanethioamide is sourced from PubChem (CID 114125521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).