N-(1-carbamothioylcyclopentyl)hexanamide

C12H22N2OS — CID 61121113

IUPACN-(1-carbamothioylcyclopentyl)hexanamide
SMILESCCCCCC(=O)NC1(C(N)=S)CCCC1
InChIInChI=1S/C12H22N2OS/c1-2-3-4-7-10(15)14-12(11(13)16)8-5-6-9-12/h2-9H2,1H3,(H2,13,16)(H,14,15)
InChIKeyJLINTRQGOPPDQR-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.28
Rot. Bonds6

About N-(1-carbamothioylcyclopentyl)hexanamide

N-(1-carbamothioylcyclopentyl)hexanamide (PubChem CID 61121113) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is N-(1-carbamothioylcyclopentyl)hexanamide.

Molecular Properties

Compound NameN-(1-carbamothioylcyclopentyl)hexanamide
PubChem CID61121113
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC NameN-(1-carbamothioylcyclopentyl)hexanamide
SMILESCCCCCC(=O)NC1(C(N)=S)CCCC1
InChIInChI=1S/C12H22N2OS/c1-2-3-4-7-10(15)14-12(11(13)16)8-5-6-9-12/h2-9H2,1H3,(H2,13,16)(H,14,15)
InChIKeyJLINTRQGOPPDQR-UHFFFAOYSA-N
XLogP2.28
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1-carbamothioylcyclopentyl)-4,4,4-trifluorobutanamide
CID 65712165
1-Pentanamidocyclopentanecarboxamide
CID 10867604
1-amino-N-pentanoylcyclopentane-1-carboxamide
CID 22172788
1-(Tert-butylamino)cyclopentane-1-carboxamide
CID 122595267
1-(Propanoylamino)cyclopentane-1-carboxamide
CID 130688619
1-(2-Methylbutan-2-ylamino)cyclopentane-1-carboxamide
CID 132235607
1-[(1-Oxobutyl)amino]cyclopentanecarboxamide
CID 138707508
1-[(3-Methyl-2-sulfanylbutanoyl)amino]cyclopentane-1-carboxamide
CID 141013529
1-(2-Sulfanylpentanoylamino)cyclopentane-1-carboxamide
CID 141013533
1-[(4-Methyl-2-sulfanylpentanoyl)amino]cyclopentane-1-carboxamide
CID 141013534
1-amino-N-(2,4,4-trimethylpentan-2-yl)cyclopentane-1-carboxamide
CID 54925388
N-(1-carbamothioylcyclooctyl)pentanamide
CID 54980662

Frequently Asked Questions

What is the IUPAC name of N-(1-carbamothioylcyclopentyl)hexanamide?
The IUPAC name of N-(1-carbamothioylcyclopentyl)hexanamide (CID 61121113) is N-(1-carbamothioylcyclopentyl)hexanamide.
What is the SMILES notation for N-(1-carbamothioylcyclopentyl)hexanamide?
The canonical SMILES for N-(1-carbamothioylcyclopentyl)hexanamide is CCCCCC(=O)NC1(C(N)=S)CCCC1.
What is the InChIKey of N-(1-carbamothioylcyclopentyl)hexanamide?
The InChIKey is JLINTRQGOPPDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-2-3-4-7-10(15)14-12(11(13)16)8-5-6-9-12/h2-9H2,1H3,(H2,13,16)(H,14,15).
What are the key properties of N-(1-carbamothioylcyclopentyl)hexanamide?
N-(1-carbamothioylcyclopentyl)hexanamide has a molecular weight of 242.39 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-carbamothioylcyclopentyl)hexanamide is sourced from PubChem (CID 61121113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).