3-cyclopropyl-1-methyl-1-(3-methylbutan-2-yl)thiourea

C10H20N2S — CID 115578919

IUPAC3-cyclopropyl-1-methyl-1-(3-methylbutan-2-yl)thiourea
SMILESCC(C)C(C)N(C)C(=S)NC1CC1
InChIInChI=1S/C10H20N2S/c1-7(2)8(3)12(4)10(13)11-9-5-6-9/h7-9H,5-6H2,1-4H3,(H,11,13)
InChIKeySQHCJPBTTIKKEU-UHFFFAOYSA-N
MW200.35 g/mol
LogP2.00
Rot. Bonds3

About 3-cyclopropyl-1-methyl-1-(3-methylbutan-2-yl)thiourea

3-cyclopropyl-1-methyl-1-(3-methylbutan-2-yl)thiourea (PubChem CID 115578919) has the molecular formula C10H20N2S and a molecular weight of 200.35 g/mol. Its IUPAC name is 3-cyclopropyl-1-methyl-1-(3-methylbutan-2-yl)thiourea.

Molecular Properties

Compound Name3-cyclopropyl-1-methyl-1-(3-methylbutan-2-yl)thiourea
PubChem CID115578919
Molecular FormulaC10H20N2S
Molecular Weight200.35 g/mol
Exact Mass200.13
IUPAC Name3-cyclopropyl-1-methyl-1-(3-methylbutan-2-yl)thiourea
SMILESCC(C)C(C)N(C)C(=S)NC1CC1
InChIInChI=1S/C10H20N2S/c1-7(2)8(3)12(4)10(13)11-9-5-6-9/h7-9H,5-6H2,1-4H3,(H,11,13)
InChIKeySQHCJPBTTIKKEU-UHFFFAOYSA-N
XLogP2.00
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 52.00
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

3-cyclopentyl-1-methyl-1-propan-2-ylthiourea
CID 116507156
3-cyclopropyl-1-ethyl-1-propan-2-ylthiourea
CID 116507332
3-cyclopropyl-1-methyl-1-(1-thiophen-2-ylpropan-2-yl)thiourea
CID 115673593
3-cyclopropyl-1-ethoxy-1-methylthiourea
CID 131222930
3-cyclopropyl-1,1-dipropylthiourea
CID 19653025
3-cyclopropyl-1-propan-2-yl-1-(2,2,2-trifluoroethyl)thiourea
CID 116507917
N-cyclopropyl-2-[[2-(cyclopropylamino)-2-oxoethyl]-(3-methylbutan-2-yl)amino]acetamide
CID 43067880
1-cyclopropyl-3-[1-(dimethylamino)propan-2-yl]thiourea
CID 116509742
(2S)-N-cyclopropyl-2-(dimethylamino)propanamide
CID 127013720
1-cyclopropyl-3-[4-(dimethylamino)butan-2-yl]thiourea
CID 115596154
3-cyclopentyl-1-(2,2-difluoroethyl)-1-methylthiourea
CID 116510300
3-cyclopentyl-1-methyl-1-(1-thiophen-2-ylpropan-2-yl)thiourea
CID 116509360

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-methyl-1-(3-methylbutan-2-yl)thiourea?
The IUPAC name of 3-cyclopropyl-1-methyl-1-(3-methylbutan-2-yl)thiourea (CID 115578919) is 3-cyclopropyl-1-methyl-1-(3-methylbutan-2-yl)thiourea.
What is the SMILES notation for 3-cyclopropyl-1-methyl-1-(3-methylbutan-2-yl)thiourea?
The canonical SMILES for 3-cyclopropyl-1-methyl-1-(3-methylbutan-2-yl)thiourea is CC(C)C(C)N(C)C(=S)NC1CC1.
What is the InChIKey of 3-cyclopropyl-1-methyl-1-(3-methylbutan-2-yl)thiourea?
The InChIKey is SQHCJPBTTIKKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2S/c1-7(2)8(3)12(4)10(13)11-9-5-6-9/h7-9H,5-6H2,1-4H3,(H,11,13).
What are the key properties of 3-cyclopropyl-1-methyl-1-(3-methylbutan-2-yl)thiourea?
3-cyclopropyl-1-methyl-1-(3-methylbutan-2-yl)thiourea has a molecular weight of 200.35 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-methyl-1-(3-methylbutan-2-yl)thiourea is sourced from PubChem (CID 115578919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).