1-carbamothioyl-N-pentylcyclopropane-1-carboxamide

C10H18N2OS — CID 80592483

IUPAC1-carbamothioyl-N-pentylcyclopropane-1-carboxamide
SMILESCCCCCNC(=O)C1(C(N)=S)CC1
InChIInChI=1S/C10H18N2OS/c1-2-3-4-7-12-9(13)10(5-6-10)8(11)14/h2-7H2,1H3,(H2,11,14)(H,12,13)
InChIKeyAXRNYBCOGNUGSS-UHFFFAOYSA-N
MW214.33 g/mol
LogP1.36
Rot. Bonds6

About 1-carbamothioyl-N-pentylcyclopropane-1-carboxamide

1-carbamothioyl-N-pentylcyclopropane-1-carboxamide (PubChem CID 80592483) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is 1-carbamothioyl-N-pentylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-carbamothioyl-N-pentylcyclopropane-1-carboxamide
PubChem CID80592483
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name1-carbamothioyl-N-pentylcyclopropane-1-carboxamide
SMILESCCCCCNC(=O)C1(C(N)=S)CC1
InChIInChI=1S/C10H18N2OS/c1-2-3-4-7-12-9(13)10(5-6-10)8(11)14/h2-7H2,1H3,(H2,11,14)(H,12,13)
InChIKeyAXRNYBCOGNUGSS-UHFFFAOYSA-N
XLogP1.36
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 51.36
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

1-carbamothioyl-N-(3-propoxypropyl)cyclopropane-1-carboxamide
CID 82940735
N-decyl-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide
CID 80593590
1-carbamothioyl-N-[2-(diethylamino)ethyl]cyclopropane-1-carboxamide
CID 80592590
1-N,1-N',11-N,11-N',21-N,21-N'-hexaoctadecylcyclotriacontane-1,1,11,11,21,21-hexacarboxamide
CID 132573279
1-N'-tert-butyl-1-N-pentylcyclopropane-1,1-dicarboxamide
CID 108979327
1-amino-N-pentylcyclobutane-1-carboxamide
CID 81167514
1-carbamothioyl-N-(2-propan-2-yloxyethyl)cyclopropane-1-carboxamide
CID 104761691
1-N'-butan-2-yl-1-N-pentylcyclopropane-1,1-dicarboxamide
CID 108971439
1-N'-hexyl-1-N-methylcyclobutane-1,1-dicarboxamide
CID 71878534
N-(5-amino-5-oxopentyl)-1-carbamothioyl-3-methylcyclobutane-1-carboxamide
CID 114162224
1-amino-N-hexadecylcyclopentane-1-carboxamide;hydrochloride
CID 162369758
ethyl 4-[1-(pentylcarbamoyl)cyclopropanecarbonyl]piperazine-1-carboxylate
CID 108978683

Frequently Asked Questions

What is the IUPAC name of 1-carbamothioyl-N-pentylcyclopropane-1-carboxamide?
The IUPAC name of 1-carbamothioyl-N-pentylcyclopropane-1-carboxamide (CID 80592483) is 1-carbamothioyl-N-pentylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-carbamothioyl-N-pentylcyclopropane-1-carboxamide?
The canonical SMILES for 1-carbamothioyl-N-pentylcyclopropane-1-carboxamide is CCCCCNC(=O)C1(C(N)=S)CC1.
What is the InChIKey of 1-carbamothioyl-N-pentylcyclopropane-1-carboxamide?
The InChIKey is AXRNYBCOGNUGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-2-3-4-7-12-9(13)10(5-6-10)8(11)14/h2-7H2,1H3,(H2,11,14)(H,12,13).
What are the key properties of 1-carbamothioyl-N-pentylcyclopropane-1-carboxamide?
1-carbamothioyl-N-pentylcyclopropane-1-carboxamide has a molecular weight of 214.33 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamothioyl-N-pentylcyclopropane-1-carboxamide is sourced from PubChem (CID 80592483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).