N-(ethylsulfanylmethyl)-N-methylethanamine

C6H15NS — CID 90896034

IUPACN-(ethylsulfanylmethyl)-N-methylethanamine
SMILESCCSCN(C)CC
InChIInChI=1S/C6H15NS/c1-4-7(3)6-8-5-2/h4-6H2,1-3H3
InChIKeyMFJHBDKXQRIEMY-UHFFFAOYSA-N
MW133.26 g/mol
LogP1.65
Rot. Bonds4

About N-(ethylsulfanylmethyl)-N-methylethanamine

N-(ethylsulfanylmethyl)-N-methylethanamine (PubChem CID 90896034) has the molecular formula C6H15NS and a molecular weight of 133.26 g/mol. Its IUPAC name is N-(ethylsulfanylmethyl)-N-methylethanamine.

Molecular Properties

Compound NameN-(ethylsulfanylmethyl)-N-methylethanamine
PubChem CID90896034
Molecular FormulaC6H15NS
Molecular Weight133.26 g/mol
Exact Mass133.09
IUPAC NameN-(ethylsulfanylmethyl)-N-methylethanamine
SMILESCCSCN(C)CC
InChIInChI=1S/C6H15NS/c1-4-7(3)6-8-5-2/h4-6H2,1-3H3
InChIKeyMFJHBDKXQRIEMY-UHFFFAOYSA-N
XLogP1.65
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.26
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(ethylsulfanylmethyl)-N-methylethanamine?
The IUPAC name of N-(ethylsulfanylmethyl)-N-methylethanamine (CID 90896034) is N-(ethylsulfanylmethyl)-N-methylethanamine.
What is the SMILES notation for N-(ethylsulfanylmethyl)-N-methylethanamine?
The canonical SMILES for N-(ethylsulfanylmethyl)-N-methylethanamine is CCSCN(C)CC.
What is the InChIKey of N-(ethylsulfanylmethyl)-N-methylethanamine?
The InChIKey is MFJHBDKXQRIEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NS/c1-4-7(3)6-8-5-2/h4-6H2,1-3H3.
What are the key properties of N-(ethylsulfanylmethyl)-N-methylethanamine?
N-(ethylsulfanylmethyl)-N-methylethanamine has a molecular weight of 133.26 g/mol, XLogP of 1.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethylsulfanylmethyl)-N-methylethanamine is sourced from PubChem (CID 90896034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).