1-cyclopropyl-3-[4-(dimethylamino)butan-2-yl]thiourea

C10H21N3S — CID 115596154

IUPAC1-cyclopropyl-3-[4-(dimethylamino)butan-2-yl]thiourea
SMILESCC(CCN(C)C)NC(=S)NC1CC1
InChIInChI=1S/C10H21N3S/c1-8(6-7-13(2)3)11-10(14)12-9-4-5-9/h8-9H,4-7H2,1-3H3,(H2,11,12,14)
InChIKeyGNYLZFGCYZNJLX-UHFFFAOYSA-N
MW215.37 g/mol
LogP0.95
Rot. Bonds5

About 1-cyclopropyl-3-[4-(dimethylamino)butan-2-yl]thiourea

1-cyclopropyl-3-[4-(dimethylamino)butan-2-yl]thiourea (PubChem CID 115596154) has the molecular formula C10H21N3S and a molecular weight of 215.37 g/mol. Its IUPAC name is 1-cyclopropyl-3-[4-(dimethylamino)butan-2-yl]thiourea.

Molecular Properties

Compound Name1-cyclopropyl-3-[4-(dimethylamino)butan-2-yl]thiourea
PubChem CID115596154
Molecular FormulaC10H21N3S
Molecular Weight215.37 g/mol
Exact Mass215.15
IUPAC Name1-cyclopropyl-3-[4-(dimethylamino)butan-2-yl]thiourea
SMILESCC(CCN(C)C)NC(=S)NC1CC1
InChIInChI=1S/C10H21N3S/c1-8(6-7-13(2)3)11-10(14)12-9-4-5-9/h8-9H,4-7H2,1-3H3,(H2,11,12,14)
InChIKeyGNYLZFGCYZNJLX-UHFFFAOYSA-N
XLogP0.95
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.37
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-cyclopropyl-3-[4-(dimethylamino)butan-2-yl]thiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclopropyl-3-[1-(dimethylamino)propan-2-yl]thiourea
CID 116509742
1-cyclohexyl-3-pentan-2-ylthiourea
CID 19652331
1-[(2S)-butan-2-yl]-3-cyclohexylthiourea
CID 799366
1-cyclopropyl-3-(4-phenylbutan-2-yl)thiourea
CID 19651854
3-[4-(dimethylamino)butan-2-ylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 66032824
2-(cyclopentylamino)-N-[4-(dimethylamino)butan-2-yl]acetamide
CID 54968434
N-cyclopropyl-2-(cyclopropylcarbamothioylamino)propanamide
CID 116509918
1-[4-(dimethylamino)butan-2-yl]-3-(3-ethoxypropyl)thiourea
CID 113227846
1-cyclohexyl-3-(4,4,4-trifluorobutan-2-yl)thiourea
CID 104859022
2-(cyclopropylcarbamothioylamino)-N,N-diethylpropanamide
CID 116509964
1-but-3-en-2-yl-3-cyclopropylthiourea
CID 130832702
1-(1-methoxypropan-2-yl)-3-(thian-4-yl)thiourea
CID 115599640

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[4-(dimethylamino)butan-2-yl]thiourea?
The IUPAC name of 1-cyclopropyl-3-[4-(dimethylamino)butan-2-yl]thiourea (CID 115596154) is 1-cyclopropyl-3-[4-(dimethylamino)butan-2-yl]thiourea.
What is the SMILES notation for 1-cyclopropyl-3-[4-(dimethylamino)butan-2-yl]thiourea?
The canonical SMILES for 1-cyclopropyl-3-[4-(dimethylamino)butan-2-yl]thiourea is CC(CCN(C)C)NC(=S)NC1CC1.
What is the InChIKey of 1-cyclopropyl-3-[4-(dimethylamino)butan-2-yl]thiourea?
The InChIKey is GNYLZFGCYZNJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3S/c1-8(6-7-13(2)3)11-10(14)12-9-4-5-9/h8-9H,4-7H2,1-3H3,(H2,11,12,14).
What are the key properties of 1-cyclopropyl-3-[4-(dimethylamino)butan-2-yl]thiourea?
1-cyclopropyl-3-[4-(dimethylamino)butan-2-yl]thiourea has a molecular weight of 215.37 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[4-(dimethylamino)butan-2-yl]thiourea is sourced from PubChem (CID 115596154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).