1-pentyl-3-(pentylamino)thiourea

C11H25N3S — CID 118437495

IUPAC1-pentyl-3-(pentylamino)thiourea
SMILESCCCCCNNC(=S)NCCCCC
InChIInChI=1S/C11H25N3S/c1-3-5-7-9-12-11(15)14-13-10-8-6-4-2/h13H,3-10H2,1-2H3,(H2,12,14,15)
InChIKeyKVPFKFWYMUYITC-UHFFFAOYSA-N
MW231.41 g/mol
LogP2.34
Rot. Bonds9

About 1-pentyl-3-(pentylamino)thiourea

1-pentyl-3-(pentylamino)thiourea (PubChem CID 118437495) has the molecular formula C11H25N3S and a molecular weight of 231.41 g/mol. Its IUPAC name is 1-pentyl-3-(pentylamino)thiourea.

Molecular Properties

Compound Name1-pentyl-3-(pentylamino)thiourea
PubChem CID118437495
Molecular FormulaC11H25N3S
Molecular Weight231.41 g/mol
Exact Mass231.18
IUPAC Name1-pentyl-3-(pentylamino)thiourea
SMILESCCCCCNNC(=S)NCCCCC
InChIInChI=1S/C11H25N3S/c1-3-5-7-9-12-11(15)14-13-10-8-6-4-2/h13H,3-10H2,1-2H3,(H2,12,14,15)
InChIKeyKVPFKFWYMUYITC-UHFFFAOYSA-N
XLogP2.34
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.41
LogP ≤ 52.34
H-Bond Donors ≤ 53
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-pentyl-3-(pentylamino)thiourea?
The IUPAC name of 1-pentyl-3-(pentylamino)thiourea (CID 118437495) is 1-pentyl-3-(pentylamino)thiourea.
What is the SMILES notation for 1-pentyl-3-(pentylamino)thiourea?
The canonical SMILES for 1-pentyl-3-(pentylamino)thiourea is CCCCCNNC(=S)NCCCCC.
What is the InChIKey of 1-pentyl-3-(pentylamino)thiourea?
The InChIKey is KVPFKFWYMUYITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3S/c1-3-5-7-9-12-11(15)14-13-10-8-6-4-2/h13H,3-10H2,1-2H3,(H2,12,14,15).
What are the key properties of 1-pentyl-3-(pentylamino)thiourea?
1-pentyl-3-(pentylamino)thiourea has a molecular weight of 231.41 g/mol, XLogP of 2.34, 9 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentyl-3-(pentylamino)thiourea is sourced from PubChem (CID 118437495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).