1-cyclohexyl-3-[3-(cyclopropylmethoxy)propyl]thiourea

C14H26N2OS — CID 103603425

IUPAC1-cyclohexyl-3-[3-(cyclopropylmethoxy)propyl]thiourea
SMILESS=C(NCCCOCC1CC1)NC1CCCCC1
InChIInChI=1S/C14H26N2OS/c18-14(16-13-5-2-1-3-6-13)15-9-4-10-17-11-12-7-8-12/h12-13H,1-11H2,(H2,15,16,18)
InChIKeyKBYJYIHATVUWJV-UHFFFAOYSA-N
MW270.44 g/mol
LogP2.60
Rot. Bonds7

About 1-cyclohexyl-3-[3-(cyclopropylmethoxy)propyl]thiourea

1-cyclohexyl-3-[3-(cyclopropylmethoxy)propyl]thiourea (PubChem CID 103603425) has the molecular formula C14H26N2OS and a molecular weight of 270.44 g/mol. Its IUPAC name is 1-cyclohexyl-3-[3-(cyclopropylmethoxy)propyl]thiourea.

Molecular Properties

Compound Name1-cyclohexyl-3-[3-(cyclopropylmethoxy)propyl]thiourea
PubChem CID103603425
Molecular FormulaC14H26N2OS
Molecular Weight270.44 g/mol
Exact Mass270.18
IUPAC Name1-cyclohexyl-3-[3-(cyclopropylmethoxy)propyl]thiourea
SMILESS=C(NCCCOCC1CC1)NC1CCCCC1
InChIInChI=1S/C14H26N2OS/c18-14(16-13-5-2-1-3-6-13)15-9-4-10-17-11-12-7-8-12/h12-13H,1-11H2,(H2,15,16,18)
InChIKeyKBYJYIHATVUWJV-UHFFFAOYSA-N
XLogP2.60
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[3-(cyclopropylmethoxy)propyl]thiourea?
The IUPAC name of 1-cyclohexyl-3-[3-(cyclopropylmethoxy)propyl]thiourea (CID 103603425) is 1-cyclohexyl-3-[3-(cyclopropylmethoxy)propyl]thiourea.
What is the SMILES notation for 1-cyclohexyl-3-[3-(cyclopropylmethoxy)propyl]thiourea?
The canonical SMILES for 1-cyclohexyl-3-[3-(cyclopropylmethoxy)propyl]thiourea is S=C(NCCCOCC1CC1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[3-(cyclopropylmethoxy)propyl]thiourea?
The InChIKey is KBYJYIHATVUWJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS/c18-14(16-13-5-2-1-3-6-13)15-9-4-10-17-11-12-7-8-12/h12-13H,1-11H2,(H2,15,16,18).
What are the key properties of 1-cyclohexyl-3-[3-(cyclopropylmethoxy)propyl]thiourea?
1-cyclohexyl-3-[3-(cyclopropylmethoxy)propyl]thiourea has a molecular weight of 270.44 g/mol, XLogP of 2.60, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[3-(cyclopropylmethoxy)propyl]thiourea is sourced from PubChem (CID 103603425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).