1-[4-(dimethylaminosulfanyl)phenyl]-N-methylmethanamine;ethane

C12H22N2S — CID 144618412

IUPAC1-[4-(dimethylaminosulfanyl)phenyl]-N-methylmethanamine;ethane
SMILESCC.CNCc1ccc(SN(C)C)cc1
InChIInChI=1S/C10H16N2S.C2H6/c1-11-8-9-4-6-10(7-5-9)13-12(2)3;1-2/h4-7,11H,8H2,1-3H3;1-2H3
InChIKeyOHSFVUCXZPNTSE-UHFFFAOYSA-N
MW226.39 g/mol
LogP3.00
Rot. Bonds4

About 1-[4-(dimethylaminosulfanyl)phenyl]-N-methylmethanamine;ethane

1-[4-(dimethylaminosulfanyl)phenyl]-N-methylmethanamine;ethane (PubChem CID 144618412) has the molecular formula C12H22N2S and a molecular weight of 226.39 g/mol. Its IUPAC name is 1-[4-(dimethylaminosulfanyl)phenyl]-N-methylmethanamine;ethane.

Molecular Properties

Compound Name1-[4-(dimethylaminosulfanyl)phenyl]-N-methylmethanamine;ethane
PubChem CID144618412
Molecular FormulaC12H22N2S
Molecular Weight226.39 g/mol
Exact Mass226.15
IUPAC Name1-[4-(dimethylaminosulfanyl)phenyl]-N-methylmethanamine;ethane
SMILESCC.CNCc1ccc(SN(C)C)cc1
InChIInChI=1S/C10H16N2S.C2H6/c1-11-8-9-4-6-10(7-5-9)13-12(2)3;1-2/h4-7,11H,8H2,1-3H3;1-2H3
InChIKeyOHSFVUCXZPNTSE-UHFFFAOYSA-N
XLogP3.00
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylaminosulfanyl)phenyl]-N-methylmethanamine;ethane?
The IUPAC name of 1-[4-(dimethylaminosulfanyl)phenyl]-N-methylmethanamine;ethane (CID 144618412) is 1-[4-(dimethylaminosulfanyl)phenyl]-N-methylmethanamine;ethane.
What is the SMILES notation for 1-[4-(dimethylaminosulfanyl)phenyl]-N-methylmethanamine;ethane?
The canonical SMILES for 1-[4-(dimethylaminosulfanyl)phenyl]-N-methylmethanamine;ethane is CC.CNCc1ccc(SN(C)C)cc1.
What is the InChIKey of 1-[4-(dimethylaminosulfanyl)phenyl]-N-methylmethanamine;ethane?
The InChIKey is OHSFVUCXZPNTSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S.C2H6/c1-11-8-9-4-6-10(7-5-9)13-12(2)3;1-2/h4-7,11H,8H2,1-3H3;1-2H3.
What are the key properties of 1-[4-(dimethylaminosulfanyl)phenyl]-N-methylmethanamine;ethane?
1-[4-(dimethylaminosulfanyl)phenyl]-N-methylmethanamine;ethane has a molecular weight of 226.39 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylaminosulfanyl)phenyl]-N-methylmethanamine;ethane is sourced from PubChem (CID 144618412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).