1-cyclopentyl-3-[[(2R)-2-(4-methylphenyl)sulfanylpropanoyl]amino]thiourea

C16H23N3OS2 — CID 9428877

IUPAC1-cyclopentyl-3-[[(2R)-2-(4-methylphenyl)sulfanylpropanoyl]amino]thiourea
SMILESCc1ccc(S[C@H](C)C(=O)NNC(=S)NC2CCCC2)cc1
InChIInChI=1S/C16H23N3OS2/c1-11-7-9-14(10-8-11)22-12(2)15(20)18-19-16(21)17-13-5-3-4-6-13/h7-10,12-13H,3-6H2,1-2H3,(H,18,20)(H2,17,19,21)/t12-/m1/s1
InChIKeyYGZPILGJPNOTFW-GFCCVEGCSA-N
MW337.51 g/mol
LogP2.91
Rot. Bonds4

About 1-cyclopentyl-3-[[(2R)-2-(4-methylphenyl)sulfanylpropanoyl]amino]thiourea

1-cyclopentyl-3-[[(2R)-2-(4-methylphenyl)sulfanylpropanoyl]amino]thiourea (PubChem CID 9428877) has the molecular formula C16H23N3OS2 and a molecular weight of 337.51 g/mol. Its IUPAC name is 1-cyclopentyl-3-[[(2R)-2-(4-methylphenyl)sulfanylpropanoyl]amino]thiourea.

Molecular Properties

Compound Name1-cyclopentyl-3-[[(2R)-2-(4-methylphenyl)sulfanylpropanoyl]amino]thiourea
PubChem CID9428877
Molecular FormulaC16H23N3OS2
Molecular Weight337.51 g/mol
Exact Mass337.13
IUPAC Name1-cyclopentyl-3-[[(2R)-2-(4-methylphenyl)sulfanylpropanoyl]amino]thiourea
SMILESCc1ccc(S[C@H](C)C(=O)NNC(=S)NC2CCCC2)cc1
InChIInChI=1S/C16H23N3OS2/c1-11-7-9-14(10-8-11)22-12(2)15(20)18-19-16(21)17-13-5-3-4-6-13/h7-10,12-13H,3-6H2,1-2H3,(H,18,20)(H2,17,19,21)/t12-/m1/s1
InChIKeyYGZPILGJPNOTFW-GFCCVEGCSA-N
XLogP2.91
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.51
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-2-(4-hydroxyphenyl)sulfanylpropanamide
CID 47262934
(2S)-2-(4-acetamidophenyl)sulfanyl-N-cyclopentylpropanamide
CID 2423355
2-(4-methylphenyl)sulfanyl-N-pyrrolidin-3-ylpropanamide
CID 82177014
1-cyclohexyl-3-[[2-(4-methylphenyl)sulfonylacetyl]amino]thiourea
CID 4287638
N-cyclopropyl-2-[[(2S)-2-(4-methylphenyl)sulfanylpropanoyl]amino]benzamide
CID 29353062
2-(4-aminophenyl)sulfanyl-N-cyclopropylpropanamide
CID 19317735
(2R)-2-(4-chlorophenyl)sulfanyl-N-cyclopropylpropanamide
CID 883001
(2R)-N-cyclohexyl-2-naphthalen-2-ylsulfanylpropanamide
CID 7402929
(2R)-N-(cyclopentylcarbamoyl)-2-(3,4-dimethylphenyl)sulfanylpropanamide
CID 8736919
N-(cyclohexylcarbamothioyl)-4-methylbenzamide
CID 923682
N-cyclopropyl-2-[4-(hydroxymethyl)phenyl]sulfanylpropanamide
CID 113371986
N-cyclopropyl-3-[[(2S)-2-(4-methylphenyl)sulfanylpropanoyl]amino]benzamide
CID 26110887

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[[(2R)-2-(4-methylphenyl)sulfanylpropanoyl]amino]thiourea?
The IUPAC name of 1-cyclopentyl-3-[[(2R)-2-(4-methylphenyl)sulfanylpropanoyl]amino]thiourea (CID 9428877) is 1-cyclopentyl-3-[[(2R)-2-(4-methylphenyl)sulfanylpropanoyl]amino]thiourea.
What is the SMILES notation for 1-cyclopentyl-3-[[(2R)-2-(4-methylphenyl)sulfanylpropanoyl]amino]thiourea?
The canonical SMILES for 1-cyclopentyl-3-[[(2R)-2-(4-methylphenyl)sulfanylpropanoyl]amino]thiourea is Cc1ccc(S[C@H](C)C(=O)NNC(=S)NC2CCCC2)cc1.
What is the InChIKey of 1-cyclopentyl-3-[[(2R)-2-(4-methylphenyl)sulfanylpropanoyl]amino]thiourea?
The InChIKey is YGZPILGJPNOTFW-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H23N3OS2/c1-11-7-9-14(10-8-11)22-12(2)15(20)18-19-16(21)17-13-5-3-4-6-13/h7-10,12-13H,3-6H2,1-2H3,(H,18,20)(H2,17,19,21)/t12-/m1/s1.
What are the key properties of 1-cyclopentyl-3-[[(2R)-2-(4-methylphenyl)sulfanylpropanoyl]amino]thiourea?
1-cyclopentyl-3-[[(2R)-2-(4-methylphenyl)sulfanylpropanoyl]amino]thiourea has a molecular weight of 337.51 g/mol, XLogP of 2.91, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[[(2R)-2-(4-methylphenyl)sulfanylpropanoyl]amino]thiourea is sourced from PubChem (CID 9428877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).