2-(cyclohexylamino)-2-sulfanylidene-N-(thiophen-2-ylmethyl)acetamide

C13H18N2OS2 — CID 3274426

IUPAC2-(cyclohexylamino)-2-sulfanylidene-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(NCc1cccs1)C(=S)NC1CCCCC1
InChIInChI=1S/C13H18N2OS2/c16-12(14-9-11-7-4-8-18-11)13(17)15-10-5-2-1-3-6-10/h4,7-8,10H,1-3,5-6,9H2,(H,14,16)(H,15,17)
InChIKeyUFQAZBFTTMPPFJ-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.61
Rot. Bonds3

About 2-(cyclohexylamino)-2-sulfanylidene-N-(thiophen-2-ylmethyl)acetamide

2-(cyclohexylamino)-2-sulfanylidene-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 3274426) has the molecular formula C13H18N2OS2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 2-(cyclohexylamino)-2-sulfanylidene-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(cyclohexylamino)-2-sulfanylidene-N-(thiophen-2-ylmethyl)acetamide
PubChem CID3274426
Molecular FormulaC13H18N2OS2
Molecular Weight282.43 g/mol
Exact Mass282.09
IUPAC Name2-(cyclohexylamino)-2-sulfanylidene-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(NCc1cccs1)C(=S)NC1CCCCC1
InChIInChI=1S/C13H18N2OS2/c16-12(14-9-11-7-4-8-18-11)13(17)15-10-5-2-1-3-6-10/h4,7-8,10H,1-3,5-6,9H2,(H,14,16)(H,15,17)
InChIKeyUFQAZBFTTMPPFJ-UHFFFAOYSA-N
XLogP2.61
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.61
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-cyclopropyl-3-(thiophen-2-ylmethyl)thiourea
CID 2730103
N-cyclooctyl-2-thiophen-2-ylacetamide
CID 17256729
N,N'-bis(thiophen-2-ylmethyl)oxamide
CID 6421749
(2R)-1-N-cyclohexyl-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide
CID 1468489
N-(thiophen-2-ylmethyl)cycloheptanamine
CID 4719997
1-(azepan-3-yl)-3-(thiophen-2-ylmethyl)urea
CID 117235910
N-cyclohexyl-4-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 3228850
2-(cyclohexylamino)-N-(2-phenylethyl)-2-sulfanylideneacetamide
CID 2977537
N-cycloheptyl-2-oxo-2-thiophen-2-ylacetamide
CID 82119541
1-(cyclopentylmethyl)-3-(thiophen-2-ylmethyl)urea
CID 47027615
3-cyclooctyl-1-cyclopropyl-1-(thiophen-2-ylmethyl)thiourea
CID 17065604
2-cyclohexyl-2-(thiophen-2-ylmethylcarbamoylamino)acetic acid
CID 61195980

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-2-sulfanylidene-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(cyclohexylamino)-2-sulfanylidene-N-(thiophen-2-ylmethyl)acetamide (CID 3274426) is 2-(cyclohexylamino)-2-sulfanylidene-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(cyclohexylamino)-2-sulfanylidene-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(cyclohexylamino)-2-sulfanylidene-N-(thiophen-2-ylmethyl)acetamide is O=C(NCc1cccs1)C(=S)NC1CCCCC1.
What is the InChIKey of 2-(cyclohexylamino)-2-sulfanylidene-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is UFQAZBFTTMPPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS2/c16-12(14-9-11-7-4-8-18-11)13(17)15-10-5-2-1-3-6-10/h4,7-8,10H,1-3,5-6,9H2,(H,14,16)(H,15,17).
What are the key properties of 2-(cyclohexylamino)-2-sulfanylidene-N-(thiophen-2-ylmethyl)acetamide?
2-(cyclohexylamino)-2-sulfanylidene-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 282.43 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-2-sulfanylidene-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 3274426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).