1-[2-(dimethylamino)ethyl]-3-[(1R)-1-phenylethyl]thiourea

C13H21N3S — CID 8656313

IUPAC1-[2-(dimethylamino)ethyl]-3-[(1R)-1-phenylethyl]thiourea
SMILESC[C@@H](NC(=S)NCCN(C)C)c1ccccc1
InChIInChI=1S/C13H21N3S/c1-11(12-7-5-4-6-8-12)15-13(17)14-9-10-16(2)3/h4-8,11H,9-10H2,1-3H3,(H2,14,15,17)/t11-/m1/s1
InChIKeyGYAGJURMPSEJQX-LLVKDONJSA-N
MW251.40 g/mol
LogP1.77
Rot. Bonds5

About 1-[2-(dimethylamino)ethyl]-3-[(1R)-1-phenylethyl]thiourea

1-[2-(dimethylamino)ethyl]-3-[(1R)-1-phenylethyl]thiourea (PubChem CID 8656313) has the molecular formula C13H21N3S and a molecular weight of 251.40 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-3-[(1R)-1-phenylethyl]thiourea.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-3-[(1R)-1-phenylethyl]thiourea
PubChem CID8656313
Molecular FormulaC13H21N3S
Molecular Weight251.40 g/mol
Exact Mass251.15
IUPAC Name1-[2-(dimethylamino)ethyl]-3-[(1R)-1-phenylethyl]thiourea
SMILESC[C@@H](NC(=S)NCCN(C)C)c1ccccc1
InChIInChI=1S/C13H21N3S/c1-11(12-7-5-4-6-8-12)15-13(17)14-9-10-16(2)3/h4-8,11H,9-10H2,1-3H3,(H2,14,15,17)/t11-/m1/s1
InChIKeyGYAGJURMPSEJQX-LLVKDONJSA-N
XLogP1.77
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(dimethylamino)ethyl]-N'-[(1R)-1-phenylethyl]oxamide
CID 2207238
1-[2-(dimethylamino)ethyl]-3-[(1S)-1-naphthalen-1-ylethyl]thiourea
CID 8724859
1-(2-methoxyethyl)-3-(1-phenylethyl)thiourea
CID 19649785
1,3-bis[(1R)-1-phenylethyl]thiourea
CID 11818469
N-[2-(dimethylamino)ethyl]-2,2-dimethyl-N'-(1-phenylethyl)propanediamide
CID 108960183
1-(2-phenylethyl)-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea
CID 17284156
1-(1-phenylethyl)-3-(2-piperidin-1-ylethyl)thiourea
CID 2970670
1-(1-phenylethyl)-3-propan-2-ylthiourea
CID 19649780
1-butyl-3-[(1R)-1-(4-phenylphenyl)ethyl]thiourea
CID 7943701
1-(1-phenylethyl)-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea
CID 19675516
1-[(2S)-butan-2-yl]-3-[(1S)-1-phenylethyl]thiourea
CID 101001984
3-[2-(dimethylamino)ethylcarbamoylamino]-3-phenylpropanoic acid
CID 61188146

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-3-[(1R)-1-phenylethyl]thiourea?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-3-[(1R)-1-phenylethyl]thiourea (CID 8656313) is 1-[2-(dimethylamino)ethyl]-3-[(1R)-1-phenylethyl]thiourea.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-3-[(1R)-1-phenylethyl]thiourea?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-3-[(1R)-1-phenylethyl]thiourea is C[C@@H](NC(=S)NCCN(C)C)c1ccccc1.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-3-[(1R)-1-phenylethyl]thiourea?
The InChIKey is GYAGJURMPSEJQX-LLVKDONJSA-N. The full InChI is InChI=1S/C13H21N3S/c1-11(12-7-5-4-6-8-12)15-13(17)14-9-10-16(2)3/h4-8,11H,9-10H2,1-3H3,(H2,14,15,17)/t11-/m1/s1.
What are the key properties of 1-[2-(dimethylamino)ethyl]-3-[(1R)-1-phenylethyl]thiourea?
1-[2-(dimethylamino)ethyl]-3-[(1R)-1-phenylethyl]thiourea has a molecular weight of 251.40 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-3-[(1R)-1-phenylethyl]thiourea is sourced from PubChem (CID 8656313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).