5-[(3-methylcyclopentyl)methylsulfamoyl]thiophene-2-carbothioamide

C12H18N2O2S3 — CID 106272019

IUPAC5-[(3-methylcyclopentyl)methylsulfamoyl]thiophene-2-carbothioamide
SMILESCC1CCC(CNS(=O)(=O)c2ccc(C(N)=S)s2)C1
InChIInChI=1S/C12H18N2O2S3/c1-8-2-3-9(6-8)7-14-19(15,16)11-5-4-10(18-11)12(13)17/h4-5,8-9,14H,2-3,6-7H2,1H3,(H2,13,17)
InChIKeyVLUUGXVSLNYCRF-UHFFFAOYSA-N
MW318.49 g/mol
LogP2.10
Rot. Bonds5

About 5-[(3-methylcyclopentyl)methylsulfamoyl]thiophene-2-carbothioamide

5-[(3-methylcyclopentyl)methylsulfamoyl]thiophene-2-carbothioamide (PubChem CID 106272019) has the molecular formula C12H18N2O2S3 and a molecular weight of 318.49 g/mol. Its IUPAC name is 5-[(3-methylcyclopentyl)methylsulfamoyl]thiophene-2-carbothioamide.

Molecular Properties

Compound Name5-[(3-methylcyclopentyl)methylsulfamoyl]thiophene-2-carbothioamide
PubChem CID106272019
Molecular FormulaC12H18N2O2S3
Molecular Weight318.49 g/mol
Exact Mass318.05
IUPAC Name5-[(3-methylcyclopentyl)methylsulfamoyl]thiophene-2-carbothioamide
SMILESCC1CCC(CNS(=O)(=O)c2ccc(C(N)=S)s2)C1
InChIInChI=1S/C12H18N2O2S3/c1-8-2-3-9(6-8)7-14-19(15,16)11-5-4-10(18-11)12(13)17/h4-5,8-9,14H,2-3,6-7H2,1H3,(H2,13,17)
InChIKeyVLUUGXVSLNYCRF-UHFFFAOYSA-N
XLogP2.10
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.49
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[(1-ethylpiperidin-4-yl)methylsulfamoyl]thiophene-2-carbothioamide
CID 106270897
5-[2-(ethylamino)ethyl]-N-[(3-methylcyclopentyl)methyl]thiophene-2-sulfonamide
CID 106089895
5-[(1-propylcyclopropyl)methylsulfamoyl]thiophene-2-carbothioamide
CID 106272096
3-[(5-carbamothioylthiophen-2-yl)sulfonylamino]-N-cyclopropylpropanamide
CID 106271482
5-(thiophen-2-ylmethylsulfamoyl)thiophene-2-carbothioamide
CID 106270297
methyl 3-[(5-carbamothioylthiophen-2-yl)sulfonylamino]propanoate
CID 114166602
5-[(2-methyl-2-methylsulfanylpropyl)sulfamoyl]thiophene-2-carbothioamide
CID 114166719
5-[(5-carbamothioylthiophen-2-yl)sulfonylamino]pentanamide
CID 106272188
2-[2-[(5-carbamothioylthiophen-2-yl)sulfonylamino]ethoxy]acetamide
CID 106272189
3-amino-4-hydroxy-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide
CID 107411156
5-[(3-ethylsulfanylcyclopentyl)sulfamoyl]thiophene-2-carbothioamide
CID 106272138
N-[(3-bromocyclopentyl)methyl]-5-methylthiophene-2-sulfonamide
CID 106134969

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methylcyclopentyl)methylsulfamoyl]thiophene-2-carbothioamide?
The IUPAC name of 5-[(3-methylcyclopentyl)methylsulfamoyl]thiophene-2-carbothioamide (CID 106272019) is 5-[(3-methylcyclopentyl)methylsulfamoyl]thiophene-2-carbothioamide.
What is the SMILES notation for 5-[(3-methylcyclopentyl)methylsulfamoyl]thiophene-2-carbothioamide?
The canonical SMILES for 5-[(3-methylcyclopentyl)methylsulfamoyl]thiophene-2-carbothioamide is CC1CCC(CNS(=O)(=O)c2ccc(C(N)=S)s2)C1.
What is the InChIKey of 5-[(3-methylcyclopentyl)methylsulfamoyl]thiophene-2-carbothioamide?
The InChIKey is VLUUGXVSLNYCRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S3/c1-8-2-3-9(6-8)7-14-19(15,16)11-5-4-10(18-11)12(13)17/h4-5,8-9,14H,2-3,6-7H2,1H3,(H2,13,17).
What are the key properties of 5-[(3-methylcyclopentyl)methylsulfamoyl]thiophene-2-carbothioamide?
5-[(3-methylcyclopentyl)methylsulfamoyl]thiophene-2-carbothioamide has a molecular weight of 318.49 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methylcyclopentyl)methylsulfamoyl]thiophene-2-carbothioamide is sourced from PubChem (CID 106272019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).