1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]butan-2-amine

C14H19N5S — CID 63819127

IUPAC1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]butan-2-amine
SMILESCCC(N)Cc1ccccc1Sc1nnnn1C1CC1
InChIInChI=1S/C14H19N5S/c1-2-11(15)9-10-5-3-4-6-13(10)20-14-16-17-18-19(14)12-7-8-12/h3-6,11-12H,2,7-9,15H2,1H3
InChIKeyORGCDWGMDMPNQJ-UHFFFAOYSA-N
MW289.41 g/mol
LogP2.44
Rot. Bonds6

About 1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]butan-2-amine

1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]butan-2-amine (PubChem CID 63819127) has the molecular formula C14H19N5S and a molecular weight of 289.41 g/mol. Its IUPAC name is 1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]butan-2-amine.

Molecular Properties

Compound Name1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]butan-2-amine
PubChem CID63819127
Molecular FormulaC14H19N5S
Molecular Weight289.41 g/mol
Exact Mass289.14
IUPAC Name1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]butan-2-amine
SMILESCCC(N)Cc1ccccc1Sc1nnnn1C1CC1
InChIInChI=1S/C14H19N5S/c1-2-11(15)9-10-5-3-4-6-13(10)20-14-16-17-18-19(14)12-7-8-12/h3-6,11-12H,2,7-9,15H2,1H3
InChIKeyORGCDWGMDMPNQJ-UHFFFAOYSA-N
XLogP2.44
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.41
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]butan-2-amine 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-[4-bromo-2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]butan-2-amine
CID 63818099
[2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]methanamine
CID 43528939
(1R)-1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]propan-1-ol
CID 103960726
N-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]methyl]-2-methylpropan-2-amine
CID 63804432
2-[2-(1-cyclopentyltetrazol-5-yl)sulfanylphenyl]ethanamine
CID 63818266
1-[4-bromo-2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]propan-2-amine
CID 63818433
(1R)-1-[3-bromo-4-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]ethanamine
CID 78938534
[2-(1-cyclopropyltetrazol-5-yl)sulfanyl-3-pyridinyl]methanamine
CID 43528935
N-[[5-chloro-2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]methyl]ethanamine
CID 114864111
3-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-2-methylaniline
CID 43509451
N-[[5-chloro-2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]methyl]propan-1-amine
CID 114864109
1-[4-bromo-2-(1-methyltetrazol-5-yl)sulfanylphenyl]butan-2-amine
CID 63819603

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]butan-2-amine?
The IUPAC name of 1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]butan-2-amine (CID 63819127) is 1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]butan-2-amine.
What is the SMILES notation for 1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]butan-2-amine?
The canonical SMILES for 1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]butan-2-amine is CCC(N)Cc1ccccc1Sc1nnnn1C1CC1.
What is the InChIKey of 1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]butan-2-amine?
The InChIKey is ORGCDWGMDMPNQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5S/c1-2-11(15)9-10-5-3-4-6-13(10)20-14-16-17-18-19(14)12-7-8-12/h3-6,11-12H,2,7-9,15H2,1H3.
What are the key properties of 1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]butan-2-amine?
1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]butan-2-amine has a molecular weight of 289.41 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]butan-2-amine is sourced from PubChem (CID 63819127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).