(dipentylamino)thiourea

C11H25N3S — CID 118437494

IUPAC(dipentylamino)thiourea
SMILESCCCCCN(CCCCC)NC(N)=S
InChIInChI=1S/C11H25N3S/c1-3-5-7-9-14(13-11(12)15)10-8-6-4-2/h3-10H2,1-2H3,(H3,12,13,15)
InChIKeyKDWXQWSTJSRSAS-UHFFFAOYSA-N
MW231.41 g/mol
LogP2.42
Rot. Bonds9

About (dipentylamino)thiourea

(dipentylamino)thiourea (PubChem CID 118437494) has the molecular formula C11H25N3S and a molecular weight of 231.41 g/mol. Its IUPAC name is (dipentylamino)thiourea.

Molecular Properties

Compound Name(dipentylamino)thiourea
PubChem CID118437494
Molecular FormulaC11H25N3S
Molecular Weight231.41 g/mol
Exact Mass231.18
IUPAC Name(dipentylamino)thiourea
SMILESCCCCCN(CCCCC)NC(N)=S
InChIInChI=1S/C11H25N3S/c1-3-5-7-9-14(13-11(12)15)10-8-6-4-2/h3-10H2,1-2H3,(H3,12,13,15)
InChIKeyKDWXQWSTJSRSAS-UHFFFAOYSA-N
XLogP2.42
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.41
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze (dipentylamino)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

(Piperidin-1-yl)thiourea
CID 12106605
N-dipropylthiosemicarbazone
CID 86251649
(1-Ethylpiperidin-1-ium-1-yl)thiourea
CID 18537278
(Dipentylamino)thiourea;thiourea
CID 118437524
1-Amino-3-(dipropylamino)thiourea
CID 55281697
(Dipentylamino)carbamodithioic acid
CID 158653058

Frequently Asked Questions

What is the IUPAC name of (dipentylamino)thiourea?
The IUPAC name of (dipentylamino)thiourea (CID 118437494) is (dipentylamino)thiourea.
What is the SMILES notation for (dipentylamino)thiourea?
The canonical SMILES for (dipentylamino)thiourea is CCCCCN(CCCCC)NC(N)=S.
What is the InChIKey of (dipentylamino)thiourea?
The InChIKey is KDWXQWSTJSRSAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3S/c1-3-5-7-9-14(13-11(12)15)10-8-6-4-2/h3-10H2,1-2H3,(H3,12,13,15).
What are the key properties of (dipentylamino)thiourea?
(dipentylamino)thiourea has a molecular weight of 231.41 g/mol, XLogP of 2.42, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (dipentylamino)thiourea is sourced from PubChem (CID 118437494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).