4-(1-methyltetrazol-5-yl)sulfanyl-3-(propylamino)butan-1-ol

C9H19N5OS — CID 64898439

IUPAC4-(1-methyltetrazol-5-yl)sulfanyl-3-(propylamino)butan-1-ol
SMILESCCCNC(CCO)CSc1nnnn1C
InChIInChI=1S/C9H19N5OS/c1-3-5-10-8(4-6-15)7-16-9-11-12-13-14(9)2/h8,10,15H,3-7H2,1-2H3
InChIKeyILFPGYDZCYMGTH-UHFFFAOYSA-N
MW245.35 g/mol
LogP0.05
Rot. Bonds8

About 4-(1-methyltetrazol-5-yl)sulfanyl-3-(propylamino)butan-1-ol

4-(1-methyltetrazol-5-yl)sulfanyl-3-(propylamino)butan-1-ol (PubChem CID 64898439) has the molecular formula C9H19N5OS and a molecular weight of 245.35 g/mol. Its IUPAC name is 4-(1-methyltetrazol-5-yl)sulfanyl-3-(propylamino)butan-1-ol.

Molecular Properties

Compound Name4-(1-methyltetrazol-5-yl)sulfanyl-3-(propylamino)butan-1-ol
PubChem CID64898439
Molecular FormulaC9H19N5OS
Molecular Weight245.35 g/mol
Exact Mass245.13
IUPAC Name4-(1-methyltetrazol-5-yl)sulfanyl-3-(propylamino)butan-1-ol
SMILESCCCNC(CCO)CSc1nnnn1C
InChIInChI=1S/C9H19N5OS/c1-3-5-10-8(4-6-15)7-16-9-11-12-13-14(9)2/h8,10,15H,3-7H2,1-2H3
InChIKeyILFPGYDZCYMGTH-UHFFFAOYSA-N
XLogP0.05
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-(2-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylethyl]propan-1-amine
CID 64620409
3-(propylamino)-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbutan-1-ol
CID 65041207
N-[1-(3,4-dimethylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylethyl]propan-1-amine
CID 64620598
1-(1-phenyltetrazol-5-yl)sulfanyl-N-propylpentan-2-amine
CID 64650163
N-ethyl-1-(1-methyltetrazol-5-yl)sulfanylpropan-2-amine
CID 64619826
3-(1-methyltetrazol-5-yl)sulfanyl-N-propylbutan-2-amine
CID 64620207
N-[1-(2,5-dimethylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylethyl]propan-1-amine
CID 64621766
4-cyclopropyl-3-[4-hydroxy-2-(propylamino)butyl]sulfanyl-1H-1,2,4-triazol-5-one
CID 64926961
N-[1-(2,4-dimethylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylethyl]propan-1-amine
CID 64621771
3-(propylamino)-4-pyrazin-2-ylsulfanylbutan-1-ol
CID 64928338
3-(1-methyltetrazol-5-yl)sulfanylpropan-1-ol
CID 43388613
2-methyl-3-(1-methyltetrazol-5-yl)sulfanylpropanoic acid
CID 43538122

Frequently Asked Questions

What is the IUPAC name of 4-(1-methyltetrazol-5-yl)sulfanyl-3-(propylamino)butan-1-ol?
The IUPAC name of 4-(1-methyltetrazol-5-yl)sulfanyl-3-(propylamino)butan-1-ol (CID 64898439) is 4-(1-methyltetrazol-5-yl)sulfanyl-3-(propylamino)butan-1-ol.
What is the SMILES notation for 4-(1-methyltetrazol-5-yl)sulfanyl-3-(propylamino)butan-1-ol?
The canonical SMILES for 4-(1-methyltetrazol-5-yl)sulfanyl-3-(propylamino)butan-1-ol is CCCNC(CCO)CSc1nnnn1C.
What is the InChIKey of 4-(1-methyltetrazol-5-yl)sulfanyl-3-(propylamino)butan-1-ol?
The InChIKey is ILFPGYDZCYMGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N5OS/c1-3-5-10-8(4-6-15)7-16-9-11-12-13-14(9)2/h8,10,15H,3-7H2,1-2H3.
What are the key properties of 4-(1-methyltetrazol-5-yl)sulfanyl-3-(propylamino)butan-1-ol?
4-(1-methyltetrazol-5-yl)sulfanyl-3-(propylamino)butan-1-ol has a molecular weight of 245.35 g/mol, XLogP of 0.05, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methyltetrazol-5-yl)sulfanyl-3-(propylamino)butan-1-ol is sourced from PubChem (CID 64898439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).