1-carbamothioyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclobutane-1-carboxamide

C14H25N3OS — CID 80591203

IUPAC1-carbamothioyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclobutane-1-carboxamide
SMILESCC(CNC(=O)C1(C(N)=S)CCC1)CN1CCCC1
InChIInChI=1S/C14H25N3OS/c1-11(10-17-7-2-3-8-17)9-16-13(18)14(12(15)19)5-4-6-14/h11H,2-10H2,1H3,(H2,15,19)(H,16,18)
InChIKeyBQIFJQSWQUEGSI-UHFFFAOYSA-N
MW283.44 g/mol
LogP1.29
Rot. Bonds6

About 1-carbamothioyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclobutane-1-carboxamide

1-carbamothioyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclobutane-1-carboxamide (PubChem CID 80591203) has the molecular formula C14H25N3OS and a molecular weight of 283.44 g/mol. Its IUPAC name is 1-carbamothioyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-carbamothioyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclobutane-1-carboxamide
PubChem CID80591203
Molecular FormulaC14H25N3OS
Molecular Weight283.44 g/mol
Exact Mass283.17
IUPAC Name1-carbamothioyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclobutane-1-carboxamide
SMILESCC(CNC(=O)C1(C(N)=S)CCC1)CN1CCCC1
InChIInChI=1S/C14H25N3OS/c1-11(10-17-7-2-3-8-17)9-16-13(18)14(12(15)19)5-4-6-14/h11H,2-10H2,1H3,(H2,15,19)(H,16,18)
InChIKeyBQIFJQSWQUEGSI-UHFFFAOYSA-N
XLogP1.29
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 51.29
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-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclopropane-1-carboxamide
CID 80591028
1-(N'-hydroxycarbamimidoyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclobutane-1-carboxamide
CID 80596756
1-carbamothioyl-N-(2-methylbutyl)cyclopentane-1-carboxamide
CID 62694585
4-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)oxane-4-carboxamide
CID 115294865
1-carbamothioyl-N-(2-methyl-3-methylsulfanylpropyl)cyclohexane-1-carboxamide
CID 63958055
1-cyano-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclopropane-1-carboxamide
CID 80593325
2-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide
CID 62060304
N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide
CID 61062993
1-carbamothioyl-N-(2,2-difluoroethyl)cyclopentane-1-carboxamide
CID 115407173
1-carbamothioyl-N-(2,2-dicyclopropylethyl)cyclobutane-1-carboxamide
CID 80590816
2-(ethylamino)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide
CID 62993703
1-[4-(2-methylpropyl)piperazine-1-carbonyl]cyclobutane-1-carbothioamide
CID 80589264

Frequently Asked Questions

What is the IUPAC name of 1-carbamothioyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-carbamothioyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclobutane-1-carboxamide (CID 80591203) is 1-carbamothioyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-carbamothioyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-carbamothioyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclobutane-1-carboxamide is CC(CNC(=O)C1(C(N)=S)CCC1)CN1CCCC1.
What is the InChIKey of 1-carbamothioyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclobutane-1-carboxamide?
The InChIKey is BQIFJQSWQUEGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3OS/c1-11(10-17-7-2-3-8-17)9-16-13(18)14(12(15)19)5-4-6-14/h11H,2-10H2,1H3,(H2,15,19)(H,16,18).
What are the key properties of 1-carbamothioyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclobutane-1-carboxamide?
1-carbamothioyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclobutane-1-carboxamide has a molecular weight of 283.44 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamothioyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 80591203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).