N-(3-carbamothioylphenyl)-3-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide

C15H21N3O2S — CID 103356209

IUPACN-(3-carbamothioylphenyl)-3-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide
SMILESCC1(O)CCN(CCC(=O)Nc2cccc(C(N)=S)c2)C1
InChIInChI=1S/C15H21N3O2S/c1-15(20)6-8-18(10-15)7-5-13(19)17-12-4-2-3-11(9-12)14(16)21/h2-4,9,20H,5-8,10H2,1H3,(H2,16,21)(H,17,19)
InChIKeyIDUOIDSJVPTCSA-UHFFFAOYSA-N
MW307.42 g/mol
LogP1.11
Rot. Bonds5

About N-(3-carbamothioylphenyl)-3-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide

N-(3-carbamothioylphenyl)-3-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide (PubChem CID 103356209) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is N-(3-carbamothioylphenyl)-3-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-carbamothioylphenyl)-3-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide
PubChem CID103356209
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC NameN-(3-carbamothioylphenyl)-3-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide
SMILESCC1(O)CCN(CCC(=O)Nc2cccc(C(N)=S)c2)C1
InChIInChI=1S/C15H21N3O2S/c1-15(20)6-8-18(10-15)7-5-13(19)17-12-4-2-3-11(9-12)14(16)21/h2-4,9,20H,5-8,10H2,1H3,(H2,16,21)(H,17,19)
InChIKeyIDUOIDSJVPTCSA-UHFFFAOYSA-N
XLogP1.11
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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N-(3-cyanophenyl)-3-(4-hydroxy-4-methylpiperidin-1-yl)propanamide
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N-(3-carbamothioylphenyl)-2-piperidin-1-ylacetamide
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N-(3-carbamothioylphenyl)-3-(3-methylmorpholin-4-yl)propanamide
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N-(2-fluorophenyl)-3-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide
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N-(3-carbamothioylphenyl)-3-methoxypropanamide
CID 24705451
N-(3-carbamothioylphenyl)-3-propan-2-yloxypropanamide
CID 24706022
3-(3-hydroxy-3-methylpyrrolidin-1-yl)-1-(3-methylphenyl)propan-1-one
CID 103358415
N-(3-carbamothioylphenyl)-4-(2-oxopyrrolidin-1-yl)butanamide
CID 29298836
3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-phenylpropanamide
CID 120771754

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamothioylphenyl)-3-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide?
The IUPAC name of N-(3-carbamothioylphenyl)-3-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide (CID 103356209) is N-(3-carbamothioylphenyl)-3-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide.
What is the SMILES notation for N-(3-carbamothioylphenyl)-3-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide?
The canonical SMILES for N-(3-carbamothioylphenyl)-3-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide is CC1(O)CCN(CCC(=O)Nc2cccc(C(N)=S)c2)C1.
What is the InChIKey of N-(3-carbamothioylphenyl)-3-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide?
The InChIKey is IDUOIDSJVPTCSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-15(20)6-8-18(10-15)7-5-13(19)17-12-4-2-3-11(9-12)14(16)21/h2-4,9,20H,5-8,10H2,1H3,(H2,16,21)(H,17,19).
What are the key properties of N-(3-carbamothioylphenyl)-3-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide?
N-(3-carbamothioylphenyl)-3-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide has a molecular weight of 307.42 g/mol, XLogP of 1.11, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamothioylphenyl)-3-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide is sourced from PubChem (CID 103356209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).