[2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]methanamine

C11H13N5S — CID 43528939

IUPAC[2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]methanamine
SMILESNCc1ccccc1Sc1nnnn1C1CC1
InChIInChI=1S/C11H13N5S/c12-7-8-3-1-2-4-10(8)17-11-13-14-15-16(11)9-5-6-9/h1-4,9H,5-7,12H2
InChIKeyUMNIGWDGZOKQQD-UHFFFAOYSA-N
MW247.33 g/mol
LogP1.62
Rot. Bonds4

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

[2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]methanamine (PubChem CID 43528939) has the molecular formula C11H13N5S and a molecular weight of 247.33 g/mol. Its IUPAC name is [2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]methanamine.

Molecular Properties

Compound Name[2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]methanamine
PubChem CID43528939
Molecular FormulaC11H13N5S
Molecular Weight247.33 g/mol
Exact Mass247.09
IUPAC Name[2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]methanamine
SMILESNCc1ccccc1Sc1nnnn1C1CC1
InChIInChI=1S/C11H13N5S/c12-7-8-3-1-2-4-10(8)17-11-13-14-15-16(11)9-5-6-9/h1-4,9H,5-7,12H2
InChIKeyUMNIGWDGZOKQQD-UHFFFAOYSA-N
XLogP1.62
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.33
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(1-cyclopentyltetrazol-5-yl)sulfanylphenyl]ethanamine
CID 63818266
1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]butan-2-amine
CID 63819127
[2-(1-cyclopropyltetrazol-5-yl)sulfanyl-3-pyridinyl]methanamine
CID 43528935
N-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]methyl]-2-methylpropan-2-amine
CID 63804432
(1R)-1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]propan-1-ol
CID 103960726
[4-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]methanamine
CID 43528934
2-chloro-6-(1-cyclopropyltetrazol-5-yl)sulfanylbenzenecarboximidamide
CID 55079659
1-[4-bromo-2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]propan-2-amine
CID 63818433
N-[[5-chloro-2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]methyl]ethanamine
CID 114864111
3-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]pyridin-2-amine
CID 62468379
1-cyclopropyl-5-[(2S)-4-phenylbutan-2-yl]sulfanyltetrazole
CID 97313120
2-chloro-6-(1-cyclopentyltetrazol-5-yl)sulfanylbenzenecarboximidamide
CID 62496544

Frequently Asked Questions

What is the IUPAC name of [2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]methanamine?
The IUPAC name of [2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]methanamine (CID 43528939) is [2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]methanamine.
What is the SMILES notation for [2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]methanamine?
The canonical SMILES for [2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]methanamine is NCc1ccccc1Sc1nnnn1C1CC1.
What is the InChIKey of [2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]methanamine?
The InChIKey is UMNIGWDGZOKQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5S/c12-7-8-3-1-2-4-10(8)17-11-13-14-15-16(11)9-5-6-9/h1-4,9H,5-7,12H2.
What are the key properties of [2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]methanamine?
[2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]methanamine has a molecular weight of 247.33 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]methanamine is sourced from PubChem (CID 43528939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).