1-carbamothioyl-N-[5-(diethylamino)pentan-2-yl]cyclobutane-1-carboxamide

C15H29N3OS — CID 80592085

IUPAC1-carbamothioyl-N-[5-(diethylamino)pentan-2-yl]cyclobutane-1-carboxamide
SMILESCCN(CC)CCCC(C)NC(=O)C1(C(N)=S)CCC1
InChIInChI=1S/C15H29N3OS/c1-4-18(5-2)11-6-8-12(3)17-14(19)15(13(16)20)9-7-10-15/h12H,4-11H2,1-3H3,(H2,16,20)(H,17,19)
InChIKeyFWUSERNLFRTQQO-UHFFFAOYSA-N
MW299.48 g/mol
LogP2.07
Rot. Bonds9

About 1-carbamothioyl-N-[5-(diethylamino)pentan-2-yl]cyclobutane-1-carboxamide

1-carbamothioyl-N-[5-(diethylamino)pentan-2-yl]cyclobutane-1-carboxamide (PubChem CID 80592085) has the molecular formula C15H29N3OS and a molecular weight of 299.48 g/mol. Its IUPAC name is 1-carbamothioyl-N-[5-(diethylamino)pentan-2-yl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-carbamothioyl-N-[5-(diethylamino)pentan-2-yl]cyclobutane-1-carboxamide
PubChem CID80592085
Molecular FormulaC15H29N3OS
Molecular Weight299.48 g/mol
Exact Mass299.20
IUPAC Name1-carbamothioyl-N-[5-(diethylamino)pentan-2-yl]cyclobutane-1-carboxamide
SMILESCCN(CC)CCCC(C)NC(=O)C1(C(N)=S)CCC1
InChIInChI=1S/C15H29N3OS/c1-4-18(5-2)11-6-8-12(3)17-14(19)15(13(16)20)9-7-10-15/h12H,4-11H2,1-3H3,(H2,16,20)(H,17,19)
InChIKeyFWUSERNLFRTQQO-UHFFFAOYSA-N
XLogP2.07
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.48
LogP ≤ 52.07
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-carbamothioyl-N-hexan-2-ylcyclobutane-1-carboxamide
CID 80589844
1-carbamothioyl-N-octan-2-ylcyclobutane-1-carboxamide
CID 80589555
N-[5-(diethylamino)pentan-2-yl]propanamide
CID 60707685
1-carbamothioyl-N-[2-(diethylamino)ethyl]cyclopropane-1-carboxamide
CID 80592590
1-carbamothioyl-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]cycloheptane-1-carboxamide
CID 103110390
1-carbamothioyl-N-(3-ethylpentan-2-yl)cyclohexane-1-carboxamide
CID 63836744
N-[5-(diethylamino)pentan-2-yl]butanamide
CID 60707663
(2S)-2-amino-N-[5-(diethylamino)pentan-2-yl]propanamide
CID 61147751
1-carbamothioyl-N-(3-methylbutan-2-yl)cyclopropane-1-carboxamide
CID 80592521
1-carbamothioyl-N-[3-(diethylamino)propyl]-N-ethylcyclopropane-1-carboxamide
CID 102993363
1-carbamothioyl-N-(1-thiophen-3-ylpropan-2-yl)cyclobutane-1-carboxamide
CID 80588942
6-amino-N-[5-(diethylamino)pentan-2-yl]hexanamide
CID 24702267

Frequently Asked Questions

What is the IUPAC name of 1-carbamothioyl-N-[5-(diethylamino)pentan-2-yl]cyclobutane-1-carboxamide?
The IUPAC name of 1-carbamothioyl-N-[5-(diethylamino)pentan-2-yl]cyclobutane-1-carboxamide (CID 80592085) is 1-carbamothioyl-N-[5-(diethylamino)pentan-2-yl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-carbamothioyl-N-[5-(diethylamino)pentan-2-yl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-carbamothioyl-N-[5-(diethylamino)pentan-2-yl]cyclobutane-1-carboxamide is CCN(CC)CCCC(C)NC(=O)C1(C(N)=S)CCC1.
What is the InChIKey of 1-carbamothioyl-N-[5-(diethylamino)pentan-2-yl]cyclobutane-1-carboxamide?
The InChIKey is FWUSERNLFRTQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3OS/c1-4-18(5-2)11-6-8-12(3)17-14(19)15(13(16)20)9-7-10-15/h12H,4-11H2,1-3H3,(H2,16,20)(H,17,19).
What are the key properties of 1-carbamothioyl-N-[5-(diethylamino)pentan-2-yl]cyclobutane-1-carboxamide?
1-carbamothioyl-N-[5-(diethylamino)pentan-2-yl]cyclobutane-1-carboxamide has a molecular weight of 299.48 g/mol, XLogP of 2.07, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamothioyl-N-[5-(diethylamino)pentan-2-yl]cyclobutane-1-carboxamide is sourced from PubChem (CID 80592085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).