1-benzyl-3-cyclopropyl-1-[(1R)-1-cyclopropylethyl]thiourea

C16H22N2S — CID 7944237

IUPAC1-benzyl-3-cyclopropyl-1-[(1R)-1-cyclopropylethyl]thiourea
SMILESC[C@H](C1CC1)N(Cc1ccccc1)C(=S)NC1CC1
InChIInChI=1S/C16H22N2S/c1-12(14-7-8-14)18(16(19)17-15-9-10-15)11-13-5-3-2-4-6-13/h2-6,12,14-15H,7-11H2,1H3,(H,17,19)/t12-/m1/s1
InChIKeyLAZYLLPYAGVOTB-GFCCVEGCSA-N
MW274.43 g/mol
LogP3.32
Rot. Bonds5

About 1-benzyl-3-cyclopropyl-1-[(1R)-1-cyclopropylethyl]thiourea

1-benzyl-3-cyclopropyl-1-[(1R)-1-cyclopropylethyl]thiourea (PubChem CID 7944237) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is 1-benzyl-3-cyclopropyl-1-[(1R)-1-cyclopropylethyl]thiourea.

Molecular Properties

Compound Name1-benzyl-3-cyclopropyl-1-[(1R)-1-cyclopropylethyl]thiourea
PubChem CID7944237
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC Name1-benzyl-3-cyclopropyl-1-[(1R)-1-cyclopropylethyl]thiourea
SMILESC[C@H](C1CC1)N(Cc1ccccc1)C(=S)NC1CC1
InChIInChI=1S/C16H22N2S/c1-12(14-7-8-14)18(16(19)17-15-9-10-15)11-13-5-3-2-4-6-13/h2-6,12,14-15H,7-11H2,1H3,(H,17,19)/t12-/m1/s1
InChIKeyLAZYLLPYAGVOTB-GFCCVEGCSA-N
XLogP3.32
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-1-(1-cyclopropylethyl)-3-phenylthiourea
CID 14893622
1-benzyl-3-(3-chloro-2-methylphenyl)-1-[(1S)-1-cyclopropylethyl]thiourea
CID 8747442
1-benzyl-3-cyclopentyl-1-methylthiourea
CID 116507158
1-benzyl-3-cyclohexyl-1-[(2R)-1-thiophen-2-ylpropan-2-yl]thiourea
CID 8727561
3-amino-N-benzyl-N-(1-cyclopropylethyl)propanamide;hydrochloride
CID 119265819
N-benzyl-N-(1-cyclopropylethyl)-4-hydroxypentanamide
CID 79200111
N-benzyl-N-(1-cyclopropylethyl)pentanamide
CID 78805275
2-(aminomethyl)-N-benzyl-N-(1-cyclopropylethyl)-3-methylbutanamide
CID 65229552
1-benzyl-3-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-1-propan-2-ylthiourea
CID 18557022
N-benzyl-N-(1-cyclopropylethyl)-3-(ethylamino)butanamide
CID 62839563
1-benzyl-3-cyclohexyl-1-ethylthiourea
CID 5098448
2-amino-N-[2-[benzyl(1-cyclopropylethyl)amino]-2-oxoethyl]acetamide
CID 60939851

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-cyclopropyl-1-[(1R)-1-cyclopropylethyl]thiourea?
The IUPAC name of 1-benzyl-3-cyclopropyl-1-[(1R)-1-cyclopropylethyl]thiourea (CID 7944237) is 1-benzyl-3-cyclopropyl-1-[(1R)-1-cyclopropylethyl]thiourea.
What is the SMILES notation for 1-benzyl-3-cyclopropyl-1-[(1R)-1-cyclopropylethyl]thiourea?
The canonical SMILES for 1-benzyl-3-cyclopropyl-1-[(1R)-1-cyclopropylethyl]thiourea is C[C@H](C1CC1)N(Cc1ccccc1)C(=S)NC1CC1.
What is the InChIKey of 1-benzyl-3-cyclopropyl-1-[(1R)-1-cyclopropylethyl]thiourea?
The InChIKey is LAZYLLPYAGVOTB-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H22N2S/c1-12(14-7-8-14)18(16(19)17-15-9-10-15)11-13-5-3-2-4-6-13/h2-6,12,14-15H,7-11H2,1H3,(H,17,19)/t12-/m1/s1.
What are the key properties of 1-benzyl-3-cyclopropyl-1-[(1R)-1-cyclopropylethyl]thiourea?
1-benzyl-3-cyclopropyl-1-[(1R)-1-cyclopropylethyl]thiourea has a molecular weight of 274.43 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-cyclopropyl-1-[(1R)-1-cyclopropylethyl]thiourea is sourced from PubChem (CID 7944237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).