N-cycloheptyl-2-(cyclopentylamino)-2-sulfanylideneacetamide

C14H24N2OS — CID 2975425

IUPACN-cycloheptyl-2-(cyclopentylamino)-2-sulfanylideneacetamide
SMILESO=C(NC1CCCCCC1)C(=S)NC1CCCC1
InChIInChI=1S/C14H24N2OS/c17-13(14(18)16-12-9-5-6-10-12)15-11-7-3-1-2-4-8-11/h11-12H,1-10H2,(H,15,17)(H,16,18)
InChIKeyCGQAHHUSQBHZPC-UHFFFAOYSA-N
MW268.43 g/mol
LogP2.68
Rot. Bonds2

About N-cycloheptyl-2-(cyclopentylamino)-2-sulfanylideneacetamide

N-cycloheptyl-2-(cyclopentylamino)-2-sulfanylideneacetamide (PubChem CID 2975425) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is N-cycloheptyl-2-(cyclopentylamino)-2-sulfanylideneacetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-(cyclopentylamino)-2-sulfanylideneacetamide
PubChem CID2975425
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC NameN-cycloheptyl-2-(cyclopentylamino)-2-sulfanylideneacetamide
SMILESO=C(NC1CCCCCC1)C(=S)NC1CCCC1
InChIInChI=1S/C14H24N2OS/c17-13(14(18)16-12-9-5-6-10-12)15-11-7-3-1-2-4-8-11/h11-12H,1-10H2,(H,15,17)(H,16,18)
InChIKeyCGQAHHUSQBHZPC-UHFFFAOYSA-N
XLogP2.68
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 12861109
N,2-dicyclohexylprop-2-enamide
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CID 43163933
N-cycloheptylcycloheptanecarboxamide
CID 129091005
N-cyclodecylcyclododecanecarboxamide
CID 135182352
N-cyclododecyl-2-methylprop-2-enamide
CID 66733963
2-(cyclopentylamino)-N-(4-fluorophenyl)-2-sulfanylideneacetamide
CID 5206285
1-cyclobutyl-3-cyclohexylurea
CID 17217147
2-(cyclohexylamino)-N-(2-phenylethyl)-2-sulfanylideneacetamide
CID 2977537
(E)-N-cyclohexyl-2-methylbut-2-enamide
CID 14316395
2-(benzylamino)-N-cyclohexyl-2-sulfanylideneacetamide
CID 2976790
2-(cyclohexylamino)-2-sulfanylidene-N-(thiophen-2-ylmethyl)acetamide
CID 3274426

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-(cyclopentylamino)-2-sulfanylideneacetamide?
The IUPAC name of N-cycloheptyl-2-(cyclopentylamino)-2-sulfanylideneacetamide (CID 2975425) is N-cycloheptyl-2-(cyclopentylamino)-2-sulfanylideneacetamide.
What is the SMILES notation for N-cycloheptyl-2-(cyclopentylamino)-2-sulfanylideneacetamide?
The canonical SMILES for N-cycloheptyl-2-(cyclopentylamino)-2-sulfanylideneacetamide is O=C(NC1CCCCCC1)C(=S)NC1CCCC1.
What is the InChIKey of N-cycloheptyl-2-(cyclopentylamino)-2-sulfanylideneacetamide?
The InChIKey is CGQAHHUSQBHZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c17-13(14(18)16-12-9-5-6-10-12)15-11-7-3-1-2-4-8-11/h11-12H,1-10H2,(H,15,17)(H,16,18).
What are the key properties of N-cycloheptyl-2-(cyclopentylamino)-2-sulfanylideneacetamide?
N-cycloheptyl-2-(cyclopentylamino)-2-sulfanylideneacetamide has a molecular weight of 268.43 g/mol, XLogP of 2.68, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-(cyclopentylamino)-2-sulfanylideneacetamide is sourced from PubChem (CID 2975425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).