1-(2-methylpropylsulfanyl)-3-(2-methyltetrazol-5-yl)propan-2-ol

C9H18N4OS — CID 107047829

IUPAC1-(2-methylpropylsulfanyl)-3-(2-methyltetrazol-5-yl)propan-2-ol
SMILESCC(C)CSCC(O)Cc1nnn(C)n1
InChIInChI=1S/C9H18N4OS/c1-7(2)5-15-6-8(14)4-9-10-12-13(3)11-9/h7-8,14H,4-6H2,1-3H3
InChIKeyBEMUHSAORLJJAU-UHFFFAOYSA-N
MW230.34 g/mol
LogP0.50
Rot. Bonds6

About 1-(2-methylpropylsulfanyl)-3-(2-methyltetrazol-5-yl)propan-2-ol

1-(2-methylpropylsulfanyl)-3-(2-methyltetrazol-5-yl)propan-2-ol (PubChem CID 107047829) has the molecular formula C9H18N4OS and a molecular weight of 230.34 g/mol. Its IUPAC name is 1-(2-methylpropylsulfanyl)-3-(2-methyltetrazol-5-yl)propan-2-ol.

Molecular Properties

Compound Name1-(2-methylpropylsulfanyl)-3-(2-methyltetrazol-5-yl)propan-2-ol
PubChem CID107047829
Molecular FormulaC9H18N4OS
Molecular Weight230.34 g/mol
Exact Mass230.12
IUPAC Name1-(2-methylpropylsulfanyl)-3-(2-methyltetrazol-5-yl)propan-2-ol
SMILESCC(C)CSCC(O)Cc1nnn(C)n1
InChIInChI=1S/C9H18N4OS/c1-7(2)5-15-6-8(14)4-9-10-12-13(3)11-9/h7-8,14H,4-6H2,1-3H3
InChIKeyBEMUHSAORLJJAU-UHFFFAOYSA-N
XLogP0.50
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.34
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(2-methylpropylsulfanyl)-3-(2-methyltetrazol-5-yl)propan-2-ol with MolForge

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

Launch Full Analysis

Related Compounds

1-butan-2-ylsulfanyl-3-(2-methyltetrazol-5-yl)propan-2-ol
CID 107047831
1-(dimethylamino)-3-(2-methyltetrazol-5-yl)propan-2-ol
CID 107047966
1-(2-methyltetrazol-5-yl)-3-(propylamino)propan-2-ol
CID 107057608
2-methyl-3-(2-methyltetrazol-5-yl)propan-1-ol
CID 107057756
1-(2-methyltetrazol-5-yl)octan-2-ol
CID 107046019
4-methoxy-4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-ol
CID 107046551
1-(2-methyltetrazol-5-yl)-4-phenylpentan-2-ol
CID 107046002
3-methyl-2-[(2-methyltetrazol-5-yl)methyl]butan-1-ol
CID 107057781
3-methoxy-3-methyl-1-(2-methyltetrazol-5-yl)butan-2-ol
CID 107047970
5-(3-chloro-2-methylbutyl)-2-methyltetrazole
CID 107052382
1-(2-fluorophenyl)-3-(2-methyltetrazol-5-yl)propan-2-ol
CID 107047726
N,3-dimethyl-4-(2-methyltetrazol-5-yl)butan-2-amine
CID 107044611

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropylsulfanyl)-3-(2-methyltetrazol-5-yl)propan-2-ol?
The IUPAC name of 1-(2-methylpropylsulfanyl)-3-(2-methyltetrazol-5-yl)propan-2-ol (CID 107047829) is 1-(2-methylpropylsulfanyl)-3-(2-methyltetrazol-5-yl)propan-2-ol.
What is the SMILES notation for 1-(2-methylpropylsulfanyl)-3-(2-methyltetrazol-5-yl)propan-2-ol?
The canonical SMILES for 1-(2-methylpropylsulfanyl)-3-(2-methyltetrazol-5-yl)propan-2-ol is CC(C)CSCC(O)Cc1nnn(C)n1.
What is the InChIKey of 1-(2-methylpropylsulfanyl)-3-(2-methyltetrazol-5-yl)propan-2-ol?
The InChIKey is BEMUHSAORLJJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4OS/c1-7(2)5-15-6-8(14)4-9-10-12-13(3)11-9/h7-8,14H,4-6H2,1-3H3.
What are the key properties of 1-(2-methylpropylsulfanyl)-3-(2-methyltetrazol-5-yl)propan-2-ol?
1-(2-methylpropylsulfanyl)-3-(2-methyltetrazol-5-yl)propan-2-ol has a molecular weight of 230.34 g/mol, XLogP of 0.50, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropylsulfanyl)-3-(2-methyltetrazol-5-yl)propan-2-ol is sourced from PubChem (CID 107047829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).