N-(2-carbamothioylcyclopentyl)-2-ethylhexanamide

C14H26N2OS — CID 62955192

IUPACN-(2-carbamothioylcyclopentyl)-2-ethylhexanamide
SMILESCCCCC(CC)C(=O)NC1CCCC1C(N)=S
InChIInChI=1S/C14H26N2OS/c1-3-5-7-10(4-2)14(17)16-12-9-6-8-11(12)13(15)18/h10-12H,3-9H2,1-2H3,(H2,15,18)(H,16,17)
InChIKeyGOHWGCMSMSRVHQ-UHFFFAOYSA-N
MW270.44 g/mol
LogP2.77
Rot. Bonds7

About N-(2-carbamothioylcyclopentyl)-2-ethylhexanamide

N-(2-carbamothioylcyclopentyl)-2-ethylhexanamide (PubChem CID 62955192) has the molecular formula C14H26N2OS and a molecular weight of 270.44 g/mol. Its IUPAC name is N-(2-carbamothioylcyclopentyl)-2-ethylhexanamide.

Molecular Properties

Compound NameN-(2-carbamothioylcyclopentyl)-2-ethylhexanamide
PubChem CID62955192
Molecular FormulaC14H26N2OS
Molecular Weight270.44 g/mol
Exact Mass270.18
IUPAC NameN-(2-carbamothioylcyclopentyl)-2-ethylhexanamide
SMILESCCCCC(CC)C(=O)NC1CCCC1C(N)=S
InChIInChI=1S/C14H26N2OS/c1-3-5-7-10(4-2)14(17)16-12-9-6-8-11(12)13(15)18/h10-12H,3-9H2,1-2H3,(H2,15,18)(H,16,17)
InChIKeyGOHWGCMSMSRVHQ-UHFFFAOYSA-N
XLogP2.77
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-carbamothioylcyclopentyl)-2-ethylhexanamide?
The IUPAC name of N-(2-carbamothioylcyclopentyl)-2-ethylhexanamide (CID 62955192) is N-(2-carbamothioylcyclopentyl)-2-ethylhexanamide.
What is the SMILES notation for N-(2-carbamothioylcyclopentyl)-2-ethylhexanamide?
The canonical SMILES for N-(2-carbamothioylcyclopentyl)-2-ethylhexanamide is CCCCC(CC)C(=O)NC1CCCC1C(N)=S.
What is the InChIKey of N-(2-carbamothioylcyclopentyl)-2-ethylhexanamide?
The InChIKey is GOHWGCMSMSRVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS/c1-3-5-7-10(4-2)14(17)16-12-9-6-8-11(12)13(15)18/h10-12H,3-9H2,1-2H3,(H2,15,18)(H,16,17).
What are the key properties of N-(2-carbamothioylcyclopentyl)-2-ethylhexanamide?
N-(2-carbamothioylcyclopentyl)-2-ethylhexanamide has a molecular weight of 270.44 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamothioylcyclopentyl)-2-ethylhexanamide is sourced from PubChem (CID 62955192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).