1-[3-(dimethylamino)propyl]-3-(2-phenylsulfanylethyl)thiourea

C14H23N3S2 — CID 9284072

IUPAC1-[3-(dimethylamino)propyl]-3-(2-phenylsulfanylethyl)thiourea
SMILESCN(C)CCCNC(=S)NCCSc1ccccc1
InChIInChI=1S/C14H23N3S2/c1-17(2)11-6-9-15-14(18)16-10-12-19-13-7-4-3-5-8-13/h3-5,7-8H,6,9-12H2,1-2H3,(H2,15,16,18)
InChIKeyALMLETYBGQRTIK-UHFFFAOYSA-N
MW297.49 g/mol
LogP2.19
Rot. Bonds8

About 1-[3-(dimethylamino)propyl]-3-(2-phenylsulfanylethyl)thiourea

1-[3-(dimethylamino)propyl]-3-(2-phenylsulfanylethyl)thiourea (PubChem CID 9284072) has the molecular formula C14H23N3S2 and a molecular weight of 297.49 g/mol. Its IUPAC name is 1-[3-(dimethylamino)propyl]-3-(2-phenylsulfanylethyl)thiourea.

Molecular Properties

Compound Name1-[3-(dimethylamino)propyl]-3-(2-phenylsulfanylethyl)thiourea
PubChem CID9284072
Molecular FormulaC14H23N3S2
Molecular Weight297.49 g/mol
Exact Mass297.13
IUPAC Name1-[3-(dimethylamino)propyl]-3-(2-phenylsulfanylethyl)thiourea
SMILESCN(C)CCCNC(=S)NCCSc1ccccc1
InChIInChI=1S/C14H23N3S2/c1-17(2)11-6-9-15-14(18)16-10-12-19-13-7-4-3-5-8-13/h3-5,7-8H,6,9-12H2,1-2H3,(H2,15,16,18)
InChIKeyALMLETYBGQRTIK-UHFFFAOYSA-N
XLogP2.19
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.49
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,3-bis(2-phenylsulfanylethyl)thiourea
CID 9284073
1-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-(2-phenylsulfanylethyl)thiourea
CID 55397772
1-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-3-(2-phenylsulfanylethyl)thiourea
CID 43076917
1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-(2-phenylsulfanylethyl)thiourea
CID 43076043
1-benzyl-3-(2-phenylsulfanylethylcarbamothioylamino)thiourea
CID 9093461
1-cyclopentyl-3-(2-phenylsulfanylethylcarbamothioylamino)thiourea
CID 9094657
N',N'-dimethyl-N-phenylsulfanylpropane-1,3-diamine
CID 126639034
1-[3-(dimethylamino)propyl]-3-[(R)-(4-methoxyphenyl)-phenylmethyl]thiourea
CID 9216300
1,1-dibenzyl-3-(2-phenylsulfanylethyl)thiourea
CID 9053168
1-cyclohexyl-1-methyl-3-(2-phenylsulfanylethyl)thiourea
CID 18282704
1-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-methyl-3-(2-phenylsulfanylethyl)guanidine
CID 111373095
1-ethyl-3-[2-(4-methylphenyl)sulfanylethyl]thiourea
CID 2287978

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)propyl]-3-(2-phenylsulfanylethyl)thiourea?
The IUPAC name of 1-[3-(dimethylamino)propyl]-3-(2-phenylsulfanylethyl)thiourea (CID 9284072) is 1-[3-(dimethylamino)propyl]-3-(2-phenylsulfanylethyl)thiourea.
What is the SMILES notation for 1-[3-(dimethylamino)propyl]-3-(2-phenylsulfanylethyl)thiourea?
The canonical SMILES for 1-[3-(dimethylamino)propyl]-3-(2-phenylsulfanylethyl)thiourea is CN(C)CCCNC(=S)NCCSc1ccccc1.
What is the InChIKey of 1-[3-(dimethylamino)propyl]-3-(2-phenylsulfanylethyl)thiourea?
The InChIKey is ALMLETYBGQRTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3S2/c1-17(2)11-6-9-15-14(18)16-10-12-19-13-7-4-3-5-8-13/h3-5,7-8H,6,9-12H2,1-2H3,(H2,15,16,18).
What are the key properties of 1-[3-(dimethylamino)propyl]-3-(2-phenylsulfanylethyl)thiourea?
1-[3-(dimethylamino)propyl]-3-(2-phenylsulfanylethyl)thiourea has a molecular weight of 297.49 g/mol, XLogP of 2.19, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)propyl]-3-(2-phenylsulfanylethyl)thiourea is sourced from PubChem (CID 9284072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).