N-methyl-1-[1-[(2-methylthiolan-2-yl)methyl]tetrazol-5-yl]ethanamine

C10H19N5S — CID 103086640

IUPACN-methyl-1-[1-[(2-methylthiolan-2-yl)methyl]tetrazol-5-yl]ethanamine
SMILESCNC(C)c1nnnn1CC1(C)CCCS1
InChIInChI=1S/C10H19N5S/c1-8(11-3)9-12-13-14-15(9)7-10(2)5-4-6-16-10/h8,11H,4-7H2,1-3H3
InChIKeyURDFXTVBJGBMDK-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.24
Rot. Bonds4

About N-methyl-1-[1-[(2-methylthiolan-2-yl)methyl]tetrazol-5-yl]ethanamine

N-methyl-1-[1-[(2-methylthiolan-2-yl)methyl]tetrazol-5-yl]ethanamine (PubChem CID 103086640) has the molecular formula C10H19N5S and a molecular weight of 241.36 g/mol. Its IUPAC name is N-methyl-1-[1-[(2-methylthiolan-2-yl)methyl]tetrazol-5-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[(2-methylthiolan-2-yl)methyl]tetrazol-5-yl]ethanamine
PubChem CID103086640
Molecular FormulaC10H19N5S
Molecular Weight241.36 g/mol
Exact Mass241.14
IUPAC NameN-methyl-1-[1-[(2-methylthiolan-2-yl)methyl]tetrazol-5-yl]ethanamine
SMILESCNC(C)c1nnnn1CC1(C)CCCS1
InChIInChI=1S/C10H19N5S/c1-8(11-3)9-12-13-14-15(9)7-10(2)5-4-6-16-10/h8,11H,4-7H2,1-3H3
InChIKeyURDFXTVBJGBMDK-UHFFFAOYSA-N
XLogP1.24
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 ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1-hexyltetrazol-5-yl)-N-methylethanamine
CID 103086260
N-methyl-1-[1-(7-methyloctyl)tetrazol-5-yl]ethanamine
CID 107818243
N-ethyl-1-[1-[(1-ethylcyclopentyl)methyl]tetrazol-5-yl]ethanamine
CID 114125135
N-ethyl-1-[1-[(2-methyloxolan-2-yl)methyl]tetrazol-5-yl]ethanamine
CID 103086563
N-ethyl-1-[1-[[1-(2-methylpropyl)cyclopentyl]methyl]tetrazol-5-yl]ethanamine
CID 103086575
1-[1-(3-cyclopropylpropyl)tetrazol-5-yl]-N-methylethanamine
CID 103087035
N-methyl-1-[1-(2,2,3,3-tetrafluoropropyl)tetrazol-5-yl]ethanamine
CID 106294017
N-methyl-1-[1-(5,5,5-trifluoropentyl)tetrazol-5-yl]ethanamine
CID 103086706
1-(1-cyclopentyltetrazol-5-yl)-N-methylethanamine
CID 103085419
1-[1-[(2-chloro-6-methoxyphenyl)methyl]tetrazol-5-yl]-N-methylethanamine
CID 103293419
N-[(2-methylthiolan-2-yl)methyl]-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106963576
N-methyl-1-(1-pentan-2-yltetrazol-5-yl)ethanamine
CID 103085322

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[(2-methylthiolan-2-yl)methyl]tetrazol-5-yl]ethanamine?
The IUPAC name of N-methyl-1-[1-[(2-methylthiolan-2-yl)methyl]tetrazol-5-yl]ethanamine (CID 103086640) is N-methyl-1-[1-[(2-methylthiolan-2-yl)methyl]tetrazol-5-yl]ethanamine.
What is the SMILES notation for N-methyl-1-[1-[(2-methylthiolan-2-yl)methyl]tetrazol-5-yl]ethanamine?
The canonical SMILES for N-methyl-1-[1-[(2-methylthiolan-2-yl)methyl]tetrazol-5-yl]ethanamine is CNC(C)c1nnnn1CC1(C)CCCS1.
What is the InChIKey of N-methyl-1-[1-[(2-methylthiolan-2-yl)methyl]tetrazol-5-yl]ethanamine?
The InChIKey is URDFXTVBJGBMDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5S/c1-8(11-3)9-12-13-14-15(9)7-10(2)5-4-6-16-10/h8,11H,4-7H2,1-3H3.
What are the key properties of N-methyl-1-[1-[(2-methylthiolan-2-yl)methyl]tetrazol-5-yl]ethanamine?
N-methyl-1-[1-[(2-methylthiolan-2-yl)methyl]tetrazol-5-yl]ethanamine has a molecular weight of 241.36 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[(2-methylthiolan-2-yl)methyl]tetrazol-5-yl]ethanamine is sourced from PubChem (CID 103086640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).