1-cyclopropyl-3-methyl-1-(3-methylbutyl)thiourea

C10H20N2S — CID 115578977

IUPAC1-cyclopropyl-3-methyl-1-(3-methylbutyl)thiourea
SMILESCNC(=S)N(CCC(C)C)C1CC1
InChIInChI=1S/C10H20N2S/c1-8(2)6-7-12(9-4-5-9)10(13)11-3/h8-9H,4-7H2,1-3H3,(H,11,13)
InChIKeyPJPUQSKZSMZMIZ-UHFFFAOYSA-N
MW200.35 g/mol
LogP2.00
Rot. Bonds4

About 1-cyclopropyl-3-methyl-1-(3-methylbutyl)thiourea

1-cyclopropyl-3-methyl-1-(3-methylbutyl)thiourea (PubChem CID 115578977) has the molecular formula C10H20N2S and a molecular weight of 200.35 g/mol. Its IUPAC name is 1-cyclopropyl-3-methyl-1-(3-methylbutyl)thiourea.

Molecular Properties

Compound Name1-cyclopropyl-3-methyl-1-(3-methylbutyl)thiourea
PubChem CID115578977
Molecular FormulaC10H20N2S
Molecular Weight200.35 g/mol
Exact Mass200.13
IUPAC Name1-cyclopropyl-3-methyl-1-(3-methylbutyl)thiourea
SMILESCNC(=S)N(CCC(C)C)C1CC1
InChIInChI=1S/C10H20N2S/c1-8(2)6-7-12(9-4-5-9)10(13)11-3/h8-9H,4-7H2,1-3H3,(H,11,13)
InChIKeyPJPUQSKZSMZMIZ-UHFFFAOYSA-N
XLogP2.00
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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

1-[2-(dimethylamino)ethyl]-3-methyl-1-(4-methylcyclohexyl)thiourea
CID 58662152
1-cyclopropyl-2-ethyl-1-(3-methylbutyl)guanidine
CID 78989365
2-bromo-N-cyclopropyl-N-(3-methylbutyl)acetamide
CID 63679316
4-[cyclopropyl(3-methylbutyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 78951224
4-carbamothioyl-N-cyclopropyl-N-(3-methylbutyl)benzamide
CID 78974487
methyl 3-[cyclopropyl(3-methylbutyl)amino]-2-methyl-2-(methylamino)propanoate
CID 78977393
2-[[cyclopropyl(3-methylbutyl)carbamoyl]amino]-3-methylbutanoic acid
CID 78974415
1-carbamothioyl-N-cyclopropyl-N-(3-methylbutyl)cycloheptane-1-carboxamide
CID 78977160
2-bromo-N-cyclopropyl-N-(3-methylbutyl)butanamide
CID 62854688
cis-(1S,2R)-2-[cyclopropyl(3-methylbutyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93377490
2-[carboxymethyl-[cyclopropyl(3-methylbutyl)carbamoyl]amino]acetic acid
CID 78947635
3-(4-methoxyphenyl)-1-(3-methylbutyl)-1-(1-propan-2-ylpiperidin-4-yl)thiourea
CID 24761473

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-methyl-1-(3-methylbutyl)thiourea?
The IUPAC name of 1-cyclopropyl-3-methyl-1-(3-methylbutyl)thiourea (CID 115578977) is 1-cyclopropyl-3-methyl-1-(3-methylbutyl)thiourea.
What is the SMILES notation for 1-cyclopropyl-3-methyl-1-(3-methylbutyl)thiourea?
The canonical SMILES for 1-cyclopropyl-3-methyl-1-(3-methylbutyl)thiourea is CNC(=S)N(CCC(C)C)C1CC1.
What is the InChIKey of 1-cyclopropyl-3-methyl-1-(3-methylbutyl)thiourea?
The InChIKey is PJPUQSKZSMZMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2S/c1-8(2)6-7-12(9-4-5-9)10(13)11-3/h8-9H,4-7H2,1-3H3,(H,11,13).
What are the key properties of 1-cyclopropyl-3-methyl-1-(3-methylbutyl)thiourea?
1-cyclopropyl-3-methyl-1-(3-methylbutyl)thiourea has a molecular weight of 200.35 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-methyl-1-(3-methylbutyl)thiourea is sourced from PubChem (CID 115578977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).