3-amino-4,4-dimethyl-2-(1-phenyltetrazol-5-yl)sulfanylpentan-1-ol

C14H21N5OS — CID 114370230

IUPAC3-amino-4,4-dimethyl-2-(1-phenyltetrazol-5-yl)sulfanylpentan-1-ol
SMILESCC(C)(C)C(N)C(CO)Sc1nnnn1-c1ccccc1
InChIInChI=1S/C14H21N5OS/c1-14(2,3)12(15)11(9-20)21-13-16-17-18-19(13)10-7-5-4-6-8-10/h4-8,11-12,20H,9,15H2,1-3H3
InChIKeyALHSZCGVXSMPAT-UHFFFAOYSA-N
MW307.42 g/mol
LogP1.49
Rot. Bonds5

About 3-amino-4,4-dimethyl-2-(1-phenyltetrazol-5-yl)sulfanylpentan-1-ol

3-amino-4,4-dimethyl-2-(1-phenyltetrazol-5-yl)sulfanylpentan-1-ol (PubChem CID 114370230) has the molecular formula C14H21N5OS and a molecular weight of 307.42 g/mol. Its IUPAC name is 3-amino-4,4-dimethyl-2-(1-phenyltetrazol-5-yl)sulfanylpentan-1-ol.

Molecular Properties

Compound Name3-amino-4,4-dimethyl-2-(1-phenyltetrazol-5-yl)sulfanylpentan-1-ol
PubChem CID114370230
Molecular FormulaC14H21N5OS
Molecular Weight307.42 g/mol
Exact Mass307.15
IUPAC Name3-amino-4,4-dimethyl-2-(1-phenyltetrazol-5-yl)sulfanylpentan-1-ol
SMILESCC(C)(C)C(N)C(CO)Sc1nnnn1-c1ccccc1
InChIInChI=1S/C14H21N5OS/c1-14(2,3)12(15)11(9-20)21-13-16-17-18-19(13)10-7-5-4-6-8-10/h4-8,11-12,20H,9,15H2,1-3H3
InChIKeyALHSZCGVXSMPAT-UHFFFAOYSA-N
XLogP1.49
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3,3-dimethyl-1-(1-phenyltetrazol-5-yl)sulfanylbutan-2-amine
CID 64648593
2-amino-2-methyl-4-(1-phenyltetrazol-5-yl)sulfanylpentanamide
CID 64711465
3,3,3-trifluoro-2-(1-phenyltetrazol-5-yl)sulfanylpropan-1-amine
CID 43753027
2-[1-(3-tert-butylphenyl)tetrazol-5-yl]sulfanylpropane-1,3-diol
CID 121300557
4,4,4-trifluoro-3-(1-phenyltetrazol-5-yl)sulfanylbutan-1-amine
CID 43753427
ethyl 2-fluoro-2-(1-phenyltetrazol-5-yl)sulfanylacetate
CID 79357235
N-tert-butyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 51233862
3-(1-phenyltetrazol-5-yl)sulfanylpentanoic acid
CID 63098412
4-amino-2-(1-phenyltetrazol-5-yl)sulfanylbutanoic acid
CID 64695475
N-(2-methylbutan-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 134037851
S-(1-phenyltetrazol-5-yl)thiohydroxylamine
CID 170760951
(2R)-2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetic acid
CID 40555263

Frequently Asked Questions

What is the IUPAC name of 3-amino-4,4-dimethyl-2-(1-phenyltetrazol-5-yl)sulfanylpentan-1-ol?
The IUPAC name of 3-amino-4,4-dimethyl-2-(1-phenyltetrazol-5-yl)sulfanylpentan-1-ol (CID 114370230) is 3-amino-4,4-dimethyl-2-(1-phenyltetrazol-5-yl)sulfanylpentan-1-ol.
What is the SMILES notation for 3-amino-4,4-dimethyl-2-(1-phenyltetrazol-5-yl)sulfanylpentan-1-ol?
The canonical SMILES for 3-amino-4,4-dimethyl-2-(1-phenyltetrazol-5-yl)sulfanylpentan-1-ol is CC(C)(C)C(N)C(CO)Sc1nnnn1-c1ccccc1.
What is the InChIKey of 3-amino-4,4-dimethyl-2-(1-phenyltetrazol-5-yl)sulfanylpentan-1-ol?
The InChIKey is ALHSZCGVXSMPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5OS/c1-14(2,3)12(15)11(9-20)21-13-16-17-18-19(13)10-7-5-4-6-8-10/h4-8,11-12,20H,9,15H2,1-3H3.
What are the key properties of 3-amino-4,4-dimethyl-2-(1-phenyltetrazol-5-yl)sulfanylpentan-1-ol?
3-amino-4,4-dimethyl-2-(1-phenyltetrazol-5-yl)sulfanylpentan-1-ol has a molecular weight of 307.42 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,4-dimethyl-2-(1-phenyltetrazol-5-yl)sulfanylpentan-1-ol is sourced from PubChem (CID 114370230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).