1-cyclopropyl-3-[1-(dimethylamino)propan-2-yl]thiourea

C9H19N3S — CID 116509742

IUPAC1-cyclopropyl-3-[1-(dimethylamino)propan-2-yl]thiourea
SMILESCC(CN(C)C)NC(=S)NC1CC1
InChIInChI=1S/C9H19N3S/c1-7(6-12(2)3)10-9(13)11-8-4-5-8/h7-8H,4-6H2,1-3H3,(H2,10,11,13)
InChIKeyMPUCOUWETOFMDG-UHFFFAOYSA-N
MW201.34 g/mol
LogP0.56
Rot. Bonds4

About 1-cyclopropyl-3-[1-(dimethylamino)propan-2-yl]thiourea

1-cyclopropyl-3-[1-(dimethylamino)propan-2-yl]thiourea (PubChem CID 116509742) has the molecular formula C9H19N3S and a molecular weight of 201.34 g/mol. Its IUPAC name is 1-cyclopropyl-3-[1-(dimethylamino)propan-2-yl]thiourea.

Molecular Properties

Compound Name1-cyclopropyl-3-[1-(dimethylamino)propan-2-yl]thiourea
PubChem CID116509742
Molecular FormulaC9H19N3S
Molecular Weight201.34 g/mol
Exact Mass201.13
IUPAC Name1-cyclopropyl-3-[1-(dimethylamino)propan-2-yl]thiourea
SMILESCC(CN(C)C)NC(=S)NC1CC1
InChIInChI=1S/C9H19N3S/c1-7(6-12(2)3)10-9(13)11-8-4-5-8/h7-8H,4-6H2,1-3H3,(H2,10,11,13)
InChIKeyMPUCOUWETOFMDG-UHFFFAOYSA-N
XLogP0.56
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.34
LogP ≤ 50.56
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

1-cyclopropyl-3-[4-(dimethylamino)butan-2-yl]thiourea
CID 115596154
1-cyclopentyl-3-[1-(dimethylamino)propan-2-yl]urea
CID 116657212
1-[(2S)-butan-2-yl]-3-cyclohexylthiourea
CID 799366
1-cyclohexyl-3-pentan-2-ylthiourea
CID 19652331
1-cyclopropyl-3-(4-phenylbutan-2-yl)thiourea
CID 19651854
N-cyclopropyl-2-(cyclopropylcarbamothioylamino)propanamide
CID 116509918
2-(cyclopropylcarbamothioylamino)-N,N-diethylpropanamide
CID 116509964
1-cyclohexyl-3-(4,4,4-trifluorobutan-2-yl)thiourea
CID 104859022
1-but-3-en-2-yl-3-cyclopropylthiourea
CID 130832702
1-(1-methoxypropan-2-yl)-3-(thian-4-yl)thiourea
CID 115599640
1-cyclohexyl-3-(1-methylsulfinylpropan-2-yl)thiourea
CID 116510187
2-(cyclopropylcarbamothioylamino)propanamide
CID 116507427

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[1-(dimethylamino)propan-2-yl]thiourea?
The IUPAC name of 1-cyclopropyl-3-[1-(dimethylamino)propan-2-yl]thiourea (CID 116509742) is 1-cyclopropyl-3-[1-(dimethylamino)propan-2-yl]thiourea.
What is the SMILES notation for 1-cyclopropyl-3-[1-(dimethylamino)propan-2-yl]thiourea?
The canonical SMILES for 1-cyclopropyl-3-[1-(dimethylamino)propan-2-yl]thiourea is CC(CN(C)C)NC(=S)NC1CC1.
What is the InChIKey of 1-cyclopropyl-3-[1-(dimethylamino)propan-2-yl]thiourea?
The InChIKey is MPUCOUWETOFMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3S/c1-7(6-12(2)3)10-9(13)11-8-4-5-8/h7-8H,4-6H2,1-3H3,(H2,10,11,13).
What are the key properties of 1-cyclopropyl-3-[1-(dimethylamino)propan-2-yl]thiourea?
1-cyclopropyl-3-[1-(dimethylamino)propan-2-yl]thiourea has a molecular weight of 201.34 g/mol, XLogP of 0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[1-(dimethylamino)propan-2-yl]thiourea is sourced from PubChem (CID 116509742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).