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

C15H27N5S — CID 21153947

IUPACN-cyclohexyl-N-ethyl-5-(1-methyltetrazol-5-yl)pentanethioamide
SMILESCCN(C(=S)CCCCc1nnnn1C)C1CCCCC1
InChIInChI=1S/C15H27N5S/c1-3-20(13-9-5-4-6-10-13)15(21)12-8-7-11-14-16-17-18-19(14)2/h13H,3-12H2,1-2H3
InChIKeyHCKWNGOUKARGSX-UHFFFAOYSA-N
MW309.48 g/mol
LogP2.90
Rot. Bonds7

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

N-cyclohexyl-N-ethyl-5-(1-methyltetrazol-5-yl)pentanethioamide (PubChem CID 21153947) has the molecular formula C15H27N5S and a molecular weight of 309.48 g/mol. Its IUPAC name is N-cyclohexyl-N-ethyl-5-(1-methyltetrazol-5-yl)pentanethioamide.

Molecular Properties

Compound NameN-cyclohexyl-N-ethyl-5-(1-methyltetrazol-5-yl)pentanethioamide
PubChem CID21153947
Molecular FormulaC15H27N5S
Molecular Weight309.48 g/mol
Exact Mass309.20
IUPAC NameN-cyclohexyl-N-ethyl-5-(1-methyltetrazol-5-yl)pentanethioamide
SMILESCCN(C(=S)CCCCc1nnnn1C)C1CCCCC1
InChIInChI=1S/C15H27N5S/c1-3-20(13-9-5-4-6-10-13)15(21)12-8-7-11-14-16-17-18-19(14)2/h13H,3-12H2,1-2H3
InChIKeyHCKWNGOUKARGSX-UHFFFAOYSA-N
XLogP2.90
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

CID 202194
CID 202194
CID 206250
CID 206250
CID 53639522
CID 53639522
CID 53781732
CID 53781732
CID 153644677
CID 153644677
CID 20267174
CID 20267174
CID 20728709
CID 20728709
CID 21153940
CID 21153940
CID 21153942
CID 21153942
CID 21153948
CID 21153948
CID 21295255
CID 21295255
CID 21295299
CID 21295299

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-ethyl-5-(1-methyltetrazol-5-yl)pentanethioamide?
The IUPAC name of N-cyclohexyl-N-ethyl-5-(1-methyltetrazol-5-yl)pentanethioamide (CID 21153947) is N-cyclohexyl-N-ethyl-5-(1-methyltetrazol-5-yl)pentanethioamide.
What is the SMILES notation for N-cyclohexyl-N-ethyl-5-(1-methyltetrazol-5-yl)pentanethioamide?
The canonical SMILES for N-cyclohexyl-N-ethyl-5-(1-methyltetrazol-5-yl)pentanethioamide is CCN(C(=S)CCCCc1nnnn1C)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-ethyl-5-(1-methyltetrazol-5-yl)pentanethioamide?
The InChIKey is HCKWNGOUKARGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5S/c1-3-20(13-9-5-4-6-10-13)15(21)12-8-7-11-14-16-17-18-19(14)2/h13H,3-12H2,1-2H3.
What are the key properties of N-cyclohexyl-N-ethyl-5-(1-methyltetrazol-5-yl)pentanethioamide?
N-cyclohexyl-N-ethyl-5-(1-methyltetrazol-5-yl)pentanethioamide has a molecular weight of 309.48 g/mol, XLogP of 2.90, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-ethyl-5-(1-methyltetrazol-5-yl)pentanethioamide is sourced from PubChem (CID 21153947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).