N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]aniline

C10H13N5S — CID 62578977

IUPACN-[2-(1-methyltetrazol-5-yl)sulfanylethyl]aniline
SMILESCn1nnnc1SCCNc1ccccc1
InChIInChI=1S/C10H13N5S/c1-15-10(12-13-14-15)16-8-7-11-9-5-3-2-4-6-9/h2-6,11H,7-8H2,1H3
InChIKeyJCYZQCAOKLYSNV-UHFFFAOYSA-N
MW235.32 g/mol
LogP1.41
Rot. Bonds5

About N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]aniline

N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]aniline (PubChem CID 62578977) has the molecular formula C10H13N5S and a molecular weight of 235.32 g/mol. Its IUPAC name is N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]aniline.

Molecular Properties

Compound NameN-[2-(1-methyltetrazol-5-yl)sulfanylethyl]aniline
PubChem CID62578977
Molecular FormulaC10H13N5S
Molecular Weight235.32 g/mol
Exact Mass235.09
IUPAC NameN-[2-(1-methyltetrazol-5-yl)sulfanylethyl]aniline
SMILESCn1nnnc1SCCNc1ccccc1
InChIInChI=1S/C10H13N5S/c1-15-10(12-13-14-15)16-8-7-11-9-5-3-2-4-6-9/h2-6,11H,7-8H2,1H3
InChIKeyJCYZQCAOKLYSNV-UHFFFAOYSA-N
XLogP1.41
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.32
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]aniline
CID 62577280
N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-3-phenylprop-2-en-1-amine;hydrochloride
CID 2978872
5-[(1R)-1-amino-2-phenylethyl]-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-1,3,4-oxadiazol-2-amine;hydrochloride
CID 154917566
4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-N-phenyl-1,3-thiazol-2-amine
CID 2345699
N-[(4-fluorophenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylethanamine;hydrochloride
CID 17291661
3-(1-methyltetrazol-5-yl)sulfanyl-N-(2-phenylethyl)propanamide
CID 47318483
N-[(2-ethoxyphenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylethanamine
CID 4718433
N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]cyclopropanamine
CID 61385651
N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-2-thiophen-2-ylethanamine
CID 62578123
N-[2-(2,5-dimethylpyrazol-3-yl)sulfanylethyl]aniline
CID 62580476
4-(1-methyltetrazol-5-yl)sulfanyl-1-phenylbutan-1-one
CID 13091625
N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]pentan-1-amine
CID 62578341

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]aniline?
The IUPAC name of N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]aniline (CID 62578977) is N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]aniline.
What is the SMILES notation for N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]aniline?
The canonical SMILES for N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]aniline is Cn1nnnc1SCCNc1ccccc1.
What is the InChIKey of N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]aniline?
The InChIKey is JCYZQCAOKLYSNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5S/c1-15-10(12-13-14-15)16-8-7-11-9-5-3-2-4-6-9/h2-6,11H,7-8H2,1H3.
What are the key properties of N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]aniline?
N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]aniline has a molecular weight of 235.32 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]aniline is sourced from PubChem (CID 62578977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).