1-methyl-3-[(1S)-2-methyl-1-(4-propylphenyl)propyl]thiourea

C15H24N2S — CID 9284138

IUPAC1-methyl-3-[(1S)-2-methyl-1-(4-propylphenyl)propyl]thiourea
SMILESCCCc1ccc([C@@H](NC(=S)NC)C(C)C)cc1
InChIInChI=1S/C15H24N2S/c1-5-6-12-7-9-13(10-8-12)14(11(2)3)17-15(18)16-4/h7-11,14H,5-6H2,1-4H3,(H2,16,17,18)/t14-/m0/s1
InChIKeyZGPHNSMGKUPPMF-AWEZNQCLSA-N
MW264.44 g/mol
LogP3.43
Rot. Bonds5

About 1-methyl-3-[(1S)-2-methyl-1-(4-propylphenyl)propyl]thiourea

1-methyl-3-[(1S)-2-methyl-1-(4-propylphenyl)propyl]thiourea (PubChem CID 9284138) has the molecular formula C15H24N2S and a molecular weight of 264.44 g/mol. Its IUPAC name is 1-methyl-3-[(1S)-2-methyl-1-(4-propylphenyl)propyl]thiourea.

Molecular Properties

Compound Name1-methyl-3-[(1S)-2-methyl-1-(4-propylphenyl)propyl]thiourea
PubChem CID9284138
Molecular FormulaC15H24N2S
Molecular Weight264.44 g/mol
Exact Mass264.17
IUPAC Name1-methyl-3-[(1S)-2-methyl-1-(4-propylphenyl)propyl]thiourea
SMILESCCCc1ccc([C@@H](NC(=S)NC)C(C)C)cc1
InChIInChI=1S/C15H24N2S/c1-5-6-12-7-9-13(10-8-12)14(11(2)3)17-15(18)16-4/h7-11,14H,5-6H2,1-4H3,(H2,16,17,18)/t14-/m0/s1
InChIKeyZGPHNSMGKUPPMF-AWEZNQCLSA-N
XLogP3.43
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.44
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-N-[2-methyl-1-(4-propylphenyl)propyl]propanamide
CID 119273049
1-(4-butylphenyl)-N-ethyl-2-methylpropan-1-amine
CID 43393753
N-[2-methyl-1-(4-propylphenyl)propyl]piperidine-4-carboxamide
CID 119273047
2-methoxy-N-methyl-1-(4-propylphenyl)propan-1-amine
CID 79617048
N,N-dimethyl-2-[[2-methyl-1-(4-propylphenyl)propyl]amino]acetamide
CID 78818491
1-[1-(dimethylsulfamoylamino)-2-methylpropyl]-4-propylbenzene
CID 42955161
3-amino-N-[2-methyl-1-(4-propylphenyl)propyl]cyclopentane-1-carboxamide
CID 119692874
2-amino-N-[1-(4-butylphenyl)-2-methylpropyl]acetamide;hydrochloride
CID 119272781
1-[[2-methyl-1-(4-propylphenyl)propyl]carbamoyl]piperidine-4-carboxylic acid
CID 122000188
(2S)-N-carbamoyl-2-[[(1R)-2-methyl-1-(4-propylphenyl)propyl]amino]propanamide
CID 8970695
1-[(4-fluorophenyl)methyl]-3-[1-(4-propylphenyl)ethyl]thiourea
CID 17284516
N-methyl-3-(4-propylphenyl)butan-2-amine
CID 66438296

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(1S)-2-methyl-1-(4-propylphenyl)propyl]thiourea?
The IUPAC name of 1-methyl-3-[(1S)-2-methyl-1-(4-propylphenyl)propyl]thiourea (CID 9284138) is 1-methyl-3-[(1S)-2-methyl-1-(4-propylphenyl)propyl]thiourea.
What is the SMILES notation for 1-methyl-3-[(1S)-2-methyl-1-(4-propylphenyl)propyl]thiourea?
The canonical SMILES for 1-methyl-3-[(1S)-2-methyl-1-(4-propylphenyl)propyl]thiourea is CCCc1ccc([C@@H](NC(=S)NC)C(C)C)cc1.
What is the InChIKey of 1-methyl-3-[(1S)-2-methyl-1-(4-propylphenyl)propyl]thiourea?
The InChIKey is ZGPHNSMGKUPPMF-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H24N2S/c1-5-6-12-7-9-13(10-8-12)14(11(2)3)17-15(18)16-4/h7-11,14H,5-6H2,1-4H3,(H2,16,17,18)/t14-/m0/s1.
What are the key properties of 1-methyl-3-[(1S)-2-methyl-1-(4-propylphenyl)propyl]thiourea?
1-methyl-3-[(1S)-2-methyl-1-(4-propylphenyl)propyl]thiourea has a molecular weight of 264.44 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(1S)-2-methyl-1-(4-propylphenyl)propyl]thiourea is sourced from PubChem (CID 9284138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).