N-methyl-2-(2-methyltetrazol-5-yl)-1-(2-methylthiolan-2-yl)ethanamine

C10H19N5S — CID 107065238

IUPACN-methyl-2-(2-methyltetrazol-5-yl)-1-(2-methylthiolan-2-yl)ethanamine
SMILESCNC(Cc1nnn(C)n1)C1(C)CCCS1
InChIInChI=1S/C10H19N5S/c1-10(5-4-6-16-10)8(11-2)7-9-12-14-15(3)13-9/h8,11H,4-7H2,1-3H3
InChIKeyNVHOVPXILVBBDT-UHFFFAOYSA-N
MW241.36 g/mol
LogP0.63
Rot. Bonds4

About N-methyl-2-(2-methyltetrazol-5-yl)-1-(2-methylthiolan-2-yl)ethanamine

N-methyl-2-(2-methyltetrazol-5-yl)-1-(2-methylthiolan-2-yl)ethanamine (PubChem CID 107065238) has the molecular formula C10H19N5S and a molecular weight of 241.36 g/mol. Its IUPAC name is N-methyl-2-(2-methyltetrazol-5-yl)-1-(2-methylthiolan-2-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(2-methyltetrazol-5-yl)-1-(2-methylthiolan-2-yl)ethanamine
PubChem CID107065238
Molecular FormulaC10H19N5S
Molecular Weight241.36 g/mol
Exact Mass241.14
IUPAC NameN-methyl-2-(2-methyltetrazol-5-yl)-1-(2-methylthiolan-2-yl)ethanamine
SMILESCNC(Cc1nnn(C)n1)C1(C)CCCS1
InChIInChI=1S/C10H19N5S/c1-10(5-4-6-16-10)8(11-2)7-9-12-14-15(3)13-9/h8,11H,4-7H2,1-3H3
InChIKeyNVHOVPXILVBBDT-UHFFFAOYSA-N
XLogP0.63
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107051205
2-(1-cyclohexylpyrazol-3-yl)-N-methyl-1-(2-methylthiolan-2-yl)ethanamine
CID 105153637
2-(4-bromo-1,3-diethylpyrazol-5-yl)-N-methyl-1-(2-methylthiolan-2-yl)ethanamine
CID 105162267
1-(1-ethoxy-3-methylcyclohexyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107051193
N-ethyl-1-(1-methoxycyclohexyl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107051120
N-methyl-1-(2-methylthiolan-2-yl)but-3-yn-1-amine
CID 105077554
N-methyl-1-(2-methylthiolan-2-yl)-2-quinolin-4-ylethanamine
CID 105159328
N,3-dimethyl-4-(2-methyltetrazol-5-yl)butan-2-amine
CID 107044611
2-(2,5-difluorophenyl)-N-methyl-1-(2-methylthiolan-2-yl)ethanamine
CID 105105246
2-(5-chloro-2-fluorophenyl)-N-methyl-1-(2-methylthiolan-2-yl)ethanamine
CID 103052717
N-methyl-1-(2-methylthiolan-2-yl)hexan-1-amine
CID 105129851
1-(2-methyloxolan-2-yl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107050310

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-methyltetrazol-5-yl)-1-(2-methylthiolan-2-yl)ethanamine?
The IUPAC name of N-methyl-2-(2-methyltetrazol-5-yl)-1-(2-methylthiolan-2-yl)ethanamine (CID 107065238) is N-methyl-2-(2-methyltetrazol-5-yl)-1-(2-methylthiolan-2-yl)ethanamine.
What is the SMILES notation for N-methyl-2-(2-methyltetrazol-5-yl)-1-(2-methylthiolan-2-yl)ethanamine?
The canonical SMILES for N-methyl-2-(2-methyltetrazol-5-yl)-1-(2-methylthiolan-2-yl)ethanamine is CNC(Cc1nnn(C)n1)C1(C)CCCS1.
What is the InChIKey of N-methyl-2-(2-methyltetrazol-5-yl)-1-(2-methylthiolan-2-yl)ethanamine?
The InChIKey is NVHOVPXILVBBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5S/c1-10(5-4-6-16-10)8(11-2)7-9-12-14-15(3)13-9/h8,11H,4-7H2,1-3H3.
What are the key properties of N-methyl-2-(2-methyltetrazol-5-yl)-1-(2-methylthiolan-2-yl)ethanamine?
N-methyl-2-(2-methyltetrazol-5-yl)-1-(2-methylthiolan-2-yl)ethanamine has a molecular weight of 241.36 g/mol, XLogP of 0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-methyltetrazol-5-yl)-1-(2-methylthiolan-2-yl)ethanamine is sourced from PubChem (CID 107065238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).