N-cyclohexyl-3-(2H-tetrazol-5-ylmethylsulfanyl)pentanamide

C13H23N5OS — CID 56998156

IUPACN-cyclohexyl-3-(2H-tetrazol-5-ylmethylsulfanyl)pentanamide
SMILESCCC(CC(=O)NC1CCCCC1)SCc1nn[nH]n1
InChIInChI=1S/C13H23N5OS/c1-2-11(20-9-12-15-17-18-16-12)8-13(19)14-10-6-4-3-5-7-10/h10-11H,2-9H2,1H3,(H,14,19)(H,15,16,17,18)
InChIKeyGNTUBBRDERHETO-UHFFFAOYSA-N
MW297.43 g/mol
LogP2.05
Rot. Bonds7

About N-cyclohexyl-3-(2H-tetrazol-5-ylmethylsulfanyl)pentanamide

N-cyclohexyl-3-(2H-tetrazol-5-ylmethylsulfanyl)pentanamide (PubChem CID 56998156) has the molecular formula C13H23N5OS and a molecular weight of 297.43 g/mol. Its IUPAC name is N-cyclohexyl-3-(2H-tetrazol-5-ylmethylsulfanyl)pentanamide.

Molecular Properties

Compound NameN-cyclohexyl-3-(2H-tetrazol-5-ylmethylsulfanyl)pentanamide
PubChem CID56998156
Molecular FormulaC13H23N5OS
Molecular Weight297.43 g/mol
Exact Mass297.16
IUPAC NameN-cyclohexyl-3-(2H-tetrazol-5-ylmethylsulfanyl)pentanamide
SMILESCCC(CC(=O)NC1CCCCC1)SCc1nn[nH]n1
InChIInChI=1S/C13H23N5OS/c1-2-11(20-9-12-15-17-18-16-12)8-13(19)14-10-6-4-3-5-7-10/h10-11H,2-9H2,1H3,(H,14,19)(H,15,16,17,18)
InChIKeyGNTUBBRDERHETO-UHFFFAOYSA-N
XLogP2.05
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.43
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-(2H-tetrazol-5-ylmethylsulfanyl)pentanamide?
The IUPAC name of N-cyclohexyl-3-(2H-tetrazol-5-ylmethylsulfanyl)pentanamide (CID 56998156) is N-cyclohexyl-3-(2H-tetrazol-5-ylmethylsulfanyl)pentanamide.
What is the SMILES notation for N-cyclohexyl-3-(2H-tetrazol-5-ylmethylsulfanyl)pentanamide?
The canonical SMILES for N-cyclohexyl-3-(2H-tetrazol-5-ylmethylsulfanyl)pentanamide is CCC(CC(=O)NC1CCCCC1)SCc1nn[nH]n1.
What is the InChIKey of N-cyclohexyl-3-(2H-tetrazol-5-ylmethylsulfanyl)pentanamide?
The InChIKey is GNTUBBRDERHETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5OS/c1-2-11(20-9-12-15-17-18-16-12)8-13(19)14-10-6-4-3-5-7-10/h10-11H,2-9H2,1H3,(H,14,19)(H,15,16,17,18).
What are the key properties of N-cyclohexyl-3-(2H-tetrazol-5-ylmethylsulfanyl)pentanamide?
N-cyclohexyl-3-(2H-tetrazol-5-ylmethylsulfanyl)pentanamide has a molecular weight of 297.43 g/mol, XLogP of 2.05, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-(2H-tetrazol-5-ylmethylsulfanyl)pentanamide is sourced from PubChem (CID 56998156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).