1-(3,4-dimethylphenyl)-3-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]thiourea

C19H31N3S — CID 100685707

IUPAC1-(3,4-dimethylphenyl)-3-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]thiourea
SMILESCC[C@H]1CCCCN1CCCNC(=S)Nc1ccc(C)c(C)c1
InChIInChI=1S/C19H31N3S/c1-4-18-8-5-6-12-22(18)13-7-11-20-19(23)21-17-10-9-15(2)16(3)14-17/h9-10,14,18H,4-8,11-13H2,1-3H3,(H2,20,21,23)/t18-/m0/s1
InChIKeySFTDFQJEFCXAMY-SFHVURJKSA-N
MW333.55 g/mol
LogP4.24
Rot. Bonds6

About 1-(3,4-dimethylphenyl)-3-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]thiourea

1-(3,4-dimethylphenyl)-3-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]thiourea (PubChem CID 100685707) has the molecular formula C19H31N3S and a molecular weight of 333.55 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-3-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]thiourea.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-3-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]thiourea
PubChem CID100685707
Molecular FormulaC19H31N3S
Molecular Weight333.55 g/mol
Exact Mass333.22
IUPAC Name1-(3,4-dimethylphenyl)-3-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]thiourea
SMILESCC[C@H]1CCCCN1CCCNC(=S)Nc1ccc(C)c(C)c1
InChIInChI=1S/C19H31N3S/c1-4-18-8-5-6-12-22(18)13-7-11-20-19(23)21-17-10-9-15(2)16(3)14-17/h9-10,14,18H,4-8,11-13H2,1-3H3,(H2,20,21,23)/t18-/m0/s1
InChIKeySFTDFQJEFCXAMY-SFHVURJKSA-N
XLogP4.24
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.55
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(3,4-dimethylphenyl)-3-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]thiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-chloro-4-methoxyphenyl)-3-[3-(2-ethylpiperidin-1-yl)propyl]thiourea
CID 133154550
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]thiourea
CID 100686363
1-(4-bromo-3-chlorophenyl)-3-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]thiourea
CID 100686441
1-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-3-[4-(trifluoromethyl)phenyl]thiourea
CID 100686423
1-[4-(cyanomethyl)phenyl]-3-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]thiourea
CID 100686164
1-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-3-(4-propan-2-yloxyphenyl)thiourea
CID 100686796
1-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-3-(3-prop-2-enoxyphenyl)thiourea
CID 100686869
1-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-3-(3-propan-2-yloxyphenyl)thiourea
CID 100686822
1-[3-(2-ethylpiperidin-1-yl)propyl]-3-pyridin-3-ylthiourea
CID 133154592
1-[3-(2-ethylpiperidin-1-yl)propyl]-3-(6-methyl-2-pyridinyl)thiourea
CID 133154590
N-[3-(2-ethylpiperidin-1-yl)propyl]-3,4-dimethylbenzamide
CID 133167577
ethyl 3-[3-[(2R)-2-ethylpiperidin-1-yl]propylcarbamothioylamino]-4-methylbenzoate
CID 125047850

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-3-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]thiourea?
The IUPAC name of 1-(3,4-dimethylphenyl)-3-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]thiourea (CID 100685707) is 1-(3,4-dimethylphenyl)-3-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]thiourea.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-3-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]thiourea?
The canonical SMILES for 1-(3,4-dimethylphenyl)-3-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]thiourea is CC[C@H]1CCCCN1CCCNC(=S)Nc1ccc(C)c(C)c1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-3-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]thiourea?
The InChIKey is SFTDFQJEFCXAMY-SFHVURJKSA-N. The full InChI is InChI=1S/C19H31N3S/c1-4-18-8-5-6-12-22(18)13-7-11-20-19(23)21-17-10-9-15(2)16(3)14-17/h9-10,14,18H,4-8,11-13H2,1-3H3,(H2,20,21,23)/t18-/m0/s1.
What are the key properties of 1-(3,4-dimethylphenyl)-3-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]thiourea?
1-(3,4-dimethylphenyl)-3-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]thiourea has a molecular weight of 333.55 g/mol, XLogP of 4.24, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-3-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]thiourea is sourced from PubChem (CID 100685707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).