N-methyl-2-(thian-4-yl)ethanamine

C8H17NS — CID 59134317

IUPACN-methyl-2-(thian-4-yl)ethanamine
SMILESCNCCC1CCSCC1
InChIInChI=1S/C8H17NS/c1-9-5-2-8-3-6-10-7-4-8/h8-9H,2-7H2,1H3
InChIKeyZRSUSQUHLKAXBO-UHFFFAOYSA-N
MW159.30 g/mol
LogP1.74
Rot. Bonds3

About N-methyl-2-(thian-4-yl)ethanamine

N-methyl-2-(thian-4-yl)ethanamine (PubChem CID 59134317) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is N-methyl-2-(thian-4-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(thian-4-yl)ethanamine
PubChem CID59134317
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC NameN-methyl-2-(thian-4-yl)ethanamine
SMILESCNCCC1CCSCC1
InChIInChI=1S/C8H17NS/c1-9-5-2-8-3-6-10-7-4-8/h8-9H,2-7H2,1H3
InChIKeyZRSUSQUHLKAXBO-UHFFFAOYSA-N
XLogP1.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Pentan-2-yl)-1,3-thiazinane--hydrogen chloride (1/1)
CID 3061407
Methyl((thian-4-yl)methyl)amine
CID 24229643
4-((Methylsulfanyl)methyl)piperidine hydrochloride
CID 56773736
4-((Ethylsulfanyl)methyl)piperidine hydrochloride
CID 72716513
4-(Tert-butylsulfanyl)piperidine hydrochloride
CID 72716464
3-(Thian-4-yl)azetidine hydrochloride
CID 137935799
Methyl[(thian-3-yl)methyl]amine hydrochloride
CID 165977447
4-[(Ethylsulfanyl)methyl]piperidine
CID 61683930
4-Tert-butylsulfanylpiperidine
CID 71778000
3-(Thian-4-yl)azetidine
CID 83815572
2-(1-Methylbutyl)-1,3-thiazinane
CID 3061408
2,2,2-trifluoro-N-[2-(thian-4-yl)ethyl]ethanamine
CID 83145591

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(thian-4-yl)ethanamine?
The IUPAC name of N-methyl-2-(thian-4-yl)ethanamine (CID 59134317) is N-methyl-2-(thian-4-yl)ethanamine.
What is the SMILES notation for N-methyl-2-(thian-4-yl)ethanamine?
The canonical SMILES for N-methyl-2-(thian-4-yl)ethanamine is CNCCC1CCSCC1.
What is the InChIKey of N-methyl-2-(thian-4-yl)ethanamine?
The InChIKey is ZRSUSQUHLKAXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS/c1-9-5-2-8-3-6-10-7-4-8/h8-9H,2-7H2,1H3.
What are the key properties of N-methyl-2-(thian-4-yl)ethanamine?
N-methyl-2-(thian-4-yl)ethanamine has a molecular weight of 159.30 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(thian-4-yl)ethanamine is sourced from PubChem (CID 59134317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).