S-thiophen-2-yl N-cyclohexylcarbamothioate

C11H15NOS2 — CID 146036114

IUPACS-thiophen-2-yl N-cyclohexylcarbamothioate
SMILESO=C(NC1CCCCC1)Sc1cccs1
InChIInChI=1S/C11H15NOS2/c13-11(15-10-7-4-8-14-10)12-9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2,(H,12,13)
InChIKeyATEZQQVGFGKCFS-UHFFFAOYSA-N
MW241.38 g/mol
LogP3.88
Rot. Bonds2

About S-thiophen-2-yl N-cyclohexylcarbamothioate

S-thiophen-2-yl N-cyclohexylcarbamothioate (PubChem CID 146036114) has the molecular formula C11H15NOS2 and a molecular weight of 241.38 g/mol. Its IUPAC name is S-thiophen-2-yl N-cyclohexylcarbamothioate.

Molecular Properties

Compound NameS-thiophen-2-yl N-cyclohexylcarbamothioate
PubChem CID146036114
Molecular FormulaC11H15NOS2
Molecular Weight241.38 g/mol
Exact Mass241.06
IUPAC NameS-thiophen-2-yl N-cyclohexylcarbamothioate
SMILESO=C(NC1CCCCC1)Sc1cccs1
InChIInChI=1S/C11H15NOS2/c13-11(15-10-7-4-8-14-10)12-9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2,(H,12,13)
InChIKeyATEZQQVGFGKCFS-UHFFFAOYSA-N
XLogP3.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cycloheptyl-2-oxo-2-thiophen-2-ylacetamide
CID 82119541
N-cyclooctyl-2-thiophen-2-ylacetamide
CID 17256729
S-methyl N-cyclohexylcarbamothioate
CID 3710575
N-cyclohexyl-4-thiophen-2-ylbenzamide
CID 4861985
N-[2-(cyclooctylamino)-2-oxoethyl]thiophene-2-carboxamide
CID 4082368
(E)-N-cyclopentyl-3-thiophen-2-ylprop-2-enamide
CID 2164351
2-(cyclohexylamino)-2-sulfanylidene-N-(thiophen-2-ylmethyl)acetamide
CID 3274426
N-cyclododecyl-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
CID 90511039
1-cyclohexyl-3-[(1-thiophen-2-ylcyclopropyl)methyl]urea
CID 30522444
N-cyclooctyl-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
CID 20965302
N-cycloheptyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 4777467
1-cyclohexyl-3-(2-thiophen-2-ylphenyl)urea
CID 52546181

Frequently Asked Questions

What is the IUPAC name of S-thiophen-2-yl N-cyclohexylcarbamothioate?
The IUPAC name of S-thiophen-2-yl N-cyclohexylcarbamothioate (CID 146036114) is S-thiophen-2-yl N-cyclohexylcarbamothioate.
What is the SMILES notation for S-thiophen-2-yl N-cyclohexylcarbamothioate?
The canonical SMILES for S-thiophen-2-yl N-cyclohexylcarbamothioate is O=C(NC1CCCCC1)Sc1cccs1.
What is the InChIKey of S-thiophen-2-yl N-cyclohexylcarbamothioate?
The InChIKey is ATEZQQVGFGKCFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS2/c13-11(15-10-7-4-8-14-10)12-9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2,(H,12,13).
What are the key properties of S-thiophen-2-yl N-cyclohexylcarbamothioate?
S-thiophen-2-yl N-cyclohexylcarbamothioate has a molecular weight of 241.38 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for S-thiophen-2-yl N-cyclohexylcarbamothioate is sourced from PubChem (CID 146036114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).