N-(4-carbamothioylphenyl)-3-(2-methylpyrrolidin-1-yl)propanamide

C15H21N3OS — CID 60973340

IUPACN-(4-carbamothioylphenyl)-3-(2-methylpyrrolidin-1-yl)propanamide
SMILESCC1CCCN1CCC(=O)Nc1ccc(C(N)=S)cc1
InChIInChI=1S/C15H21N3OS/c1-11-3-2-9-18(11)10-8-14(19)17-13-6-4-12(5-7-13)15(16)20/h4-7,11H,2-3,8-10H2,1H3,(H2,16,20)(H,17,19)
InChIKeySNZCOQOPYVHHDQ-UHFFFAOYSA-N
MW291.42 g/mol
LogP2.13
Rot. Bonds5

About N-(4-carbamothioylphenyl)-3-(2-methylpyrrolidin-1-yl)propanamide

N-(4-carbamothioylphenyl)-3-(2-methylpyrrolidin-1-yl)propanamide (PubChem CID 60973340) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is N-(4-carbamothioylphenyl)-3-(2-methylpyrrolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(4-carbamothioylphenyl)-3-(2-methylpyrrolidin-1-yl)propanamide
PubChem CID60973340
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC NameN-(4-carbamothioylphenyl)-3-(2-methylpyrrolidin-1-yl)propanamide
SMILESCC1CCCN1CCC(=O)Nc1ccc(C(N)=S)cc1
InChIInChI=1S/C15H21N3OS/c1-11-3-2-9-18(11)10-8-14(19)17-13-6-4-12(5-7-13)15(16)20/h4-7,11H,2-3,8-10H2,1H3,(H2,16,20)(H,17,19)
InChIKeySNZCOQOPYVHHDQ-UHFFFAOYSA-N
XLogP2.13
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 52.13
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

N-[4-(aminomethyl)phenyl]-3-(2-methylpyrrolidin-1-yl)propanamide
CID 54882030
N-(4-carbamothioylphenyl)-3-(4-methylpiperidin-1-yl)propanamide
CID 29046567
N-(4-cyanophenyl)-3-(2-methylpyrrolidin-1-yl)propanamide
CID 54882625
N-(4-carbamothioylphenyl)-2-(2,3-dimethylpiperidin-1-yl)acetamide
CID 62125001
N-(2-carbamothioylphenyl)-3-(2-methylpiperidin-1-yl)propanamide
CID 43106577
1-[3-(4-carbamoylanilino)-3-oxopropyl]pyrrolidine-2-carboxylic acid
CID 119909344
N-(4-carbamothioylphenyl)-2-(3,4-dimethylpiperazin-1-yl)acetamide
CID 63608633
N-(3-aminophenyl)-3-(2-methylpiperidin-1-yl)propanamide
CID 16778633
N-(4-carbamothioylphenyl)-3-(3-methoxypyrrolidin-1-yl)propanamide
CID 103533739
N-(3-carbamothioylphenyl)-2-(2-methylpiperidin-1-yl)acetamide
CID 24709451
N-(3-aminophenyl)-4-(2-methylpyrrolidin-1-yl)butanamide
CID 54881953
N-(5-amino-2-methylphenyl)-3-(2-methylpyrrolidin-1-yl)propanamide
CID 54881990

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamothioylphenyl)-3-(2-methylpyrrolidin-1-yl)propanamide?
The IUPAC name of N-(4-carbamothioylphenyl)-3-(2-methylpyrrolidin-1-yl)propanamide (CID 60973340) is N-(4-carbamothioylphenyl)-3-(2-methylpyrrolidin-1-yl)propanamide.
What is the SMILES notation for N-(4-carbamothioylphenyl)-3-(2-methylpyrrolidin-1-yl)propanamide?
The canonical SMILES for N-(4-carbamothioylphenyl)-3-(2-methylpyrrolidin-1-yl)propanamide is CC1CCCN1CCC(=O)Nc1ccc(C(N)=S)cc1.
What is the InChIKey of N-(4-carbamothioylphenyl)-3-(2-methylpyrrolidin-1-yl)propanamide?
The InChIKey is SNZCOQOPYVHHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-11-3-2-9-18(11)10-8-14(19)17-13-6-4-12(5-7-13)15(16)20/h4-7,11H,2-3,8-10H2,1H3,(H2,16,20)(H,17,19).
What are the key properties of N-(4-carbamothioylphenyl)-3-(2-methylpyrrolidin-1-yl)propanamide?
N-(4-carbamothioylphenyl)-3-(2-methylpyrrolidin-1-yl)propanamide has a molecular weight of 291.42 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamothioylphenyl)-3-(2-methylpyrrolidin-1-yl)propanamide is sourced from PubChem (CID 60973340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).