tert-butyl N-[(S)-cyclohexyl(2H-tetrazol-5-yl)methyl]carbamate

C13H23N5O2 — CID 172787774

IUPACtert-butyl N-[(S)-cyclohexyl(2H-tetrazol-5-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](c1nn[nH]n1)C1CCCCC1
InChIInChI=1S/C13H23N5O2/c1-13(2,3)20-12(19)14-10(11-15-17-18-16-11)9-7-5-4-6-8-9/h9-10H,4-8H2,1-3H3,(H,14,19)(H,15,16,17,18)/t10-/m0/s1
InChIKeyPDFGFYRGKDNFOO-JTQLQIEISA-N
MW281.36 g/mol
LogP2.35
Rot. Bonds3

About tert-butyl N-[(S)-cyclohexyl(2H-tetrazol-5-yl)methyl]carbamate

tert-butyl N-[(S)-cyclohexyl(2H-tetrazol-5-yl)methyl]carbamate (PubChem CID 172787774) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is tert-butyl N-[(S)-cyclohexyl(2H-tetrazol-5-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(S)-cyclohexyl(2H-tetrazol-5-yl)methyl]carbamate
PubChem CID172787774
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC Nametert-butyl N-[(S)-cyclohexyl(2H-tetrazol-5-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](c1nn[nH]n1)C1CCCCC1
InChIInChI=1S/C13H23N5O2/c1-13(2,3)20-12(19)14-10(11-15-17-18-16-11)9-7-5-4-6-8-9/h9-10H,4-8H2,1-3H3,(H,14,19)(H,15,16,17,18)/t10-/m0/s1
InChIKeyPDFGFYRGKDNFOO-JTQLQIEISA-N
XLogP2.35
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[(S)-cyclohexyl(2H-tetrazol-5-yl)methyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(S)-cyclohexyl(2H-tetrazol-5-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(S)-cyclohexyl(2H-tetrazol-5-yl)methyl]carbamate (CID 172787774) is tert-butyl N-[(S)-cyclohexyl(2H-tetrazol-5-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(S)-cyclohexyl(2H-tetrazol-5-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(S)-cyclohexyl(2H-tetrazol-5-yl)methyl]carbamate is CC(C)(C)OC(=O)N[C@H](c1nn[nH]n1)C1CCCCC1.
What is the InChIKey of tert-butyl N-[(S)-cyclohexyl(2H-tetrazol-5-yl)methyl]carbamate?
The InChIKey is PDFGFYRGKDNFOO-JTQLQIEISA-N. The full InChI is InChI=1S/C13H23N5O2/c1-13(2,3)20-12(19)14-10(11-15-17-18-16-11)9-7-5-4-6-8-9/h9-10H,4-8H2,1-3H3,(H,14,19)(H,15,16,17,18)/t10-/m0/s1.
What are the key properties of tert-butyl N-[(S)-cyclohexyl(2H-tetrazol-5-yl)methyl]carbamate?
tert-butyl N-[(S)-cyclohexyl(2H-tetrazol-5-yl)methyl]carbamate has a molecular weight of 281.36 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(S)-cyclohexyl(2H-tetrazol-5-yl)methyl]carbamate is sourced from PubChem (CID 172787774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).