(5-methoxypentylamino)thiourea

C7H17N3OS — CID 140886887

IUPAC(5-methoxypentylamino)thiourea
SMILESCOCCCCCNNC(N)=S
InChIInChI=1S/C7H17N3OS/c1-11-6-4-2-3-5-9-10-7(8)12/h9H,2-6H2,1H3,(H3,8,10,12)
InChIKeyOHUMFTTWRRNASO-UHFFFAOYSA-N
MW191.30 g/mol
LogP0.14
Rot. Bonds7

About (5-methoxypentylamino)thiourea

(5-methoxypentylamino)thiourea (PubChem CID 140886887) has the molecular formula C7H17N3OS and a molecular weight of 191.30 g/mol. Its IUPAC name is (5-methoxypentylamino)thiourea.

Molecular Properties

Compound Name(5-methoxypentylamino)thiourea
PubChem CID140886887
Molecular FormulaC7H17N3OS
Molecular Weight191.30 g/mol
Exact Mass191.11
IUPAC Name(5-methoxypentylamino)thiourea
SMILESCOCCCCCNNC(N)=S
InChIInChI=1S/C7H17N3OS/c1-11-6-4-2-3-5-9-10-7(8)12/h9H,2-6H2,1H3,(H3,8,10,12)
InChIKeyOHUMFTTWRRNASO-UHFFFAOYSA-N
XLogP0.14
TPSA59.31 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 (5-methoxypentylamino)thiourea?
The IUPAC name of (5-methoxypentylamino)thiourea (CID 140886887) is (5-methoxypentylamino)thiourea.
What is the SMILES notation for (5-methoxypentylamino)thiourea?
The canonical SMILES for (5-methoxypentylamino)thiourea is COCCCCCNNC(N)=S.
What is the InChIKey of (5-methoxypentylamino)thiourea?
The InChIKey is OHUMFTTWRRNASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3OS/c1-11-6-4-2-3-5-9-10-7(8)12/h9H,2-6H2,1H3,(H3,8,10,12).
What are the key properties of (5-methoxypentylamino)thiourea?
(5-methoxypentylamino)thiourea has a molecular weight of 191.30 g/mol, XLogP of 0.14, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxypentylamino)thiourea is sourced from PubChem (CID 140886887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).