N-methyl-1-(thiolan-2-yl)ethenamine

C7H13NS — CID 129141689

IUPACN-methyl-1-(thiolan-2-yl)ethenamine
SMILESC=C(NC)C1CCCS1
InChIInChI=1S/C7H13NS/c1-6(8-2)7-4-3-5-9-7/h7-8H,1,3-5H2,2H3
InChIKeyOYWTXXAGIUVKKB-UHFFFAOYSA-N
MW143.25 g/mol
LogP1.62
Rot. Bonds2

About N-methyl-1-(thiolan-2-yl)ethenamine

N-methyl-1-(thiolan-2-yl)ethenamine (PubChem CID 129141689) has the molecular formula C7H13NS and a molecular weight of 143.25 g/mol. Its IUPAC name is N-methyl-1-(thiolan-2-yl)ethenamine.

Molecular Properties

Compound NameN-methyl-1-(thiolan-2-yl)ethenamine
PubChem CID129141689
Molecular FormulaC7H13NS
Molecular Weight143.25 g/mol
Exact Mass143.08
IUPAC NameN-methyl-1-(thiolan-2-yl)ethenamine
SMILESC=C(NC)C1CCCS1
InChIInChI=1S/C7H13NS/c1-6(8-2)7-4-3-5-9-7/h7-8H,1,3-5H2,2H3
InChIKeyOYWTXXAGIUVKKB-UHFFFAOYSA-N
XLogP1.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.25
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,5-dimethyl-3-methylsulfanylhexa-1,5-dien-2-amine
CID 126659234
5-(Methylamino)hex-5-ene-2-thiol
CID 134365108
6-(1,1-dimethylthiolan-2-yl)-N-methylhex-1-en-2-amine
CID 138630950
N-methyl-3-methylsulfanylpent-1-en-2-amine
CID 139470205
4-Propyl-2,3-dihydro-1,3-thiazole
CID 143008225
Methanamine;4-(methylamino)pent-4-ene-1-thiol;2-methylidenethiolane
CID 161288691
N-methyl-3-(4-methylsulfanyl-2,3-dihydrothiophen-2-yl)prop-1-en-2-amine
CID 170237475
5-tert-butylsulfanyl-N-methylpent-1-en-2-amine
CID 173590323
2-Methylidene-4-propan-2-ylsulfanylpyrrolidine
CID 158870133

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(thiolan-2-yl)ethenamine?
The IUPAC name of N-methyl-1-(thiolan-2-yl)ethenamine (CID 129141689) is N-methyl-1-(thiolan-2-yl)ethenamine.
What is the SMILES notation for N-methyl-1-(thiolan-2-yl)ethenamine?
The canonical SMILES for N-methyl-1-(thiolan-2-yl)ethenamine is C=C(NC)C1CCCS1.
What is the InChIKey of N-methyl-1-(thiolan-2-yl)ethenamine?
The InChIKey is OYWTXXAGIUVKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NS/c1-6(8-2)7-4-3-5-9-7/h7-8H,1,3-5H2,2H3.
What are the key properties of N-methyl-1-(thiolan-2-yl)ethenamine?
N-methyl-1-(thiolan-2-yl)ethenamine has a molecular weight of 143.25 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(thiolan-2-yl)ethenamine is sourced from PubChem (CID 129141689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).