N-cyclohexyl-N-ethyl-5-(1-methyltetrazol-5-yl)sulfanylpentanamide

C15H27N5OS — CID 3062258

IUPACN-cyclohexyl-N-ethyl-5-(1-methyltetrazol-5-yl)sulfanylpentanamide
SMILESCCN(C(=O)CCCCSc1nnnn1C)C1CCCCC1
InChIInChI=1S/C15H27N5OS/c1-3-20(13-9-5-4-6-10-13)14(21)11-7-8-12-22-15-16-17-18-19(15)2/h13H,3-12H2,1-2H3
InChIKeyRDAFXSPQODNGDE-UHFFFAOYSA-N
MW325.48 g/mol
LogP2.65
Rot. Bonds8

About N-cyclohexyl-N-ethyl-5-(1-methyltetrazol-5-yl)sulfanylpentanamide

N-cyclohexyl-N-ethyl-5-(1-methyltetrazol-5-yl)sulfanylpentanamide (PubChem CID 3062258) has the molecular formula C15H27N5OS and a molecular weight of 325.48 g/mol. Its IUPAC name is N-cyclohexyl-N-ethyl-5-(1-methyltetrazol-5-yl)sulfanylpentanamide.

Molecular Properties

Compound NameN-cyclohexyl-N-ethyl-5-(1-methyltetrazol-5-yl)sulfanylpentanamide
PubChem CID3062258
Molecular FormulaC15H27N5OS
Molecular Weight325.48 g/mol
Exact Mass325.19
IUPAC NameN-cyclohexyl-N-ethyl-5-(1-methyltetrazol-5-yl)sulfanylpentanamide
SMILESCCN(C(=O)CCCCSc1nnnn1C)C1CCCCC1
InChIInChI=1S/C15H27N5OS/c1-3-20(13-9-5-4-6-10-13)14(21)11-7-8-12-22-15-16-17-18-19(15)2/h13H,3-12H2,1-2H3
InChIKeyRDAFXSPQODNGDE-UHFFFAOYSA-N
XLogP2.65
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.48
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-ethyl-5-(1-methyltetrazol-5-yl)sulfanylpentanamide?
The IUPAC name of N-cyclohexyl-N-ethyl-5-(1-methyltetrazol-5-yl)sulfanylpentanamide (CID 3062258) is N-cyclohexyl-N-ethyl-5-(1-methyltetrazol-5-yl)sulfanylpentanamide.
What is the SMILES notation for N-cyclohexyl-N-ethyl-5-(1-methyltetrazol-5-yl)sulfanylpentanamide?
The canonical SMILES for N-cyclohexyl-N-ethyl-5-(1-methyltetrazol-5-yl)sulfanylpentanamide is CCN(C(=O)CCCCSc1nnnn1C)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-ethyl-5-(1-methyltetrazol-5-yl)sulfanylpentanamide?
The InChIKey is RDAFXSPQODNGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5OS/c1-3-20(13-9-5-4-6-10-13)14(21)11-7-8-12-22-15-16-17-18-19(15)2/h13H,3-12H2,1-2H3.
What are the key properties of N-cyclohexyl-N-ethyl-5-(1-methyltetrazol-5-yl)sulfanylpentanamide?
N-cyclohexyl-N-ethyl-5-(1-methyltetrazol-5-yl)sulfanylpentanamide has a molecular weight of 325.48 g/mol, XLogP of 2.65, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-ethyl-5-(1-methyltetrazol-5-yl)sulfanylpentanamide is sourced from PubChem (CID 3062258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).