N-cyclohexyl-N-ethyl-3-[(1-ethyltetrazol-5-yl)methylsulfanyl]propanamide

C15H27N5OS — CID 13203432

IUPACN-cyclohexyl-N-ethyl-3-[(1-ethyltetrazol-5-yl)methylsulfanyl]propanamide
SMILESCCN(C(=O)CCSCc1nnnn1CC)C1CCCCC1
InChIInChI=1S/C15H27N5OS/c1-3-19(13-8-6-5-7-9-13)15(21)10-11-22-12-14-16-17-18-20(14)4-2/h13H,3-12H2,1-2H3
InChIKeyBZFGTZXMSMUPBD-UHFFFAOYSA-N
MW325.48 g/mol
LogP2.50
Rot. Bonds8

About N-cyclohexyl-N-ethyl-3-[(1-ethyltetrazol-5-yl)methylsulfanyl]propanamide

N-cyclohexyl-N-ethyl-3-[(1-ethyltetrazol-5-yl)methylsulfanyl]propanamide (PubChem CID 13203432) has the molecular formula C15H27N5OS and a molecular weight of 325.48 g/mol. Its IUPAC name is N-cyclohexyl-N-ethyl-3-[(1-ethyltetrazol-5-yl)methylsulfanyl]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-N-ethyl-3-[(1-ethyltetrazol-5-yl)methylsulfanyl]propanamide
PubChem CID13203432
Molecular FormulaC15H27N5OS
Molecular Weight325.48 g/mol
Exact Mass325.19
IUPAC NameN-cyclohexyl-N-ethyl-3-[(1-ethyltetrazol-5-yl)methylsulfanyl]propanamide
SMILESCCN(C(=O)CCSCc1nnnn1CC)C1CCCCC1
InChIInChI=1S/C15H27N5OS/c1-3-19(13-8-6-5-7-9-13)15(21)10-11-22-12-14-16-17-18-20(14)4-2/h13H,3-12H2,1-2H3
InChIKeyBZFGTZXMSMUPBD-UHFFFAOYSA-N
XLogP2.50
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 ≤ 52.50
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-3-[(1-ethyltetrazol-5-yl)methylsulfanyl]propanamide?
The IUPAC name of N-cyclohexyl-N-ethyl-3-[(1-ethyltetrazol-5-yl)methylsulfanyl]propanamide (CID 13203432) is N-cyclohexyl-N-ethyl-3-[(1-ethyltetrazol-5-yl)methylsulfanyl]propanamide.
What is the SMILES notation for N-cyclohexyl-N-ethyl-3-[(1-ethyltetrazol-5-yl)methylsulfanyl]propanamide?
The canonical SMILES for N-cyclohexyl-N-ethyl-3-[(1-ethyltetrazol-5-yl)methylsulfanyl]propanamide is CCN(C(=O)CCSCc1nnnn1CC)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-ethyl-3-[(1-ethyltetrazol-5-yl)methylsulfanyl]propanamide?
The InChIKey is BZFGTZXMSMUPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5OS/c1-3-19(13-8-6-5-7-9-13)15(21)10-11-22-12-14-16-17-18-20(14)4-2/h13H,3-12H2,1-2H3.
What are the key properties of N-cyclohexyl-N-ethyl-3-[(1-ethyltetrazol-5-yl)methylsulfanyl]propanamide?
N-cyclohexyl-N-ethyl-3-[(1-ethyltetrazol-5-yl)methylsulfanyl]propanamide has a molecular weight of 325.48 g/mol, XLogP of 2.50, 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-3-[(1-ethyltetrazol-5-yl)methylsulfanyl]propanamide is sourced from PubChem (CID 13203432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).