2-benzylsulfanyl-N,N-dimethylprop-2-en-1-amine

C12H17NS — CID 16726576

IUPAC2-benzylsulfanyl-N,N-dimethylprop-2-en-1-amine
SMILESC=C(CN(C)C)SCc1ccccc1
InChIInChI=1S/C12H17NS/c1-11(9-13(2)3)14-10-12-7-5-4-6-8-12/h4-8H,1,9-10H2,2-3H3
InChIKeyIQCZRNAUWRRQFK-UHFFFAOYSA-N
MW207.34 g/mol
LogP3.00
Rot. Bonds5

About 2-benzylsulfanyl-N,N-dimethylprop-2-en-1-amine

2-benzylsulfanyl-N,N-dimethylprop-2-en-1-amine (PubChem CID 16726576) has the molecular formula C12H17NS and a molecular weight of 207.34 g/mol. Its IUPAC name is 2-benzylsulfanyl-N,N-dimethylprop-2-en-1-amine.

Molecular Properties

Compound Name2-benzylsulfanyl-N,N-dimethylprop-2-en-1-amine
PubChem CID16726576
Molecular FormulaC12H17NS
Molecular Weight207.34 g/mol
Exact Mass207.11
IUPAC Name2-benzylsulfanyl-N,N-dimethylprop-2-en-1-amine
SMILESC=C(CN(C)C)SCc1ccccc1
InChIInChI=1S/C12H17NS/c1-11(9-13(2)3)14-10-12-7-5-4-6-8-12/h4-8H,1,9-10H2,2-3H3
InChIKeyIQCZRNAUWRRQFK-UHFFFAOYSA-N
XLogP3.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-fluoroethenylsulfanylmethylbenzene
CID 10877515
[(3Z,5E)-5-bromohepta-1,3,5-trien-2-yl]sulfanylmethylbenzene
CID 129044201
ethane;hydroxysulfanylmethylbenzene
CID 143821204
N-(2-benzylprop-2-enyl)-N-methylacetamide
CID 91265277
S-benzyl dodecanethioate;S-benzyl tetradecanethioate
CID 161441582
S-benzyl ethanethioate;propanoic acid
CID 157378732
benzylsulfanylmethanethioic S-acid;hydrochloride
CID 88841648
N,N-bis(benzylsulfanylmethyl)prop-2-enamide
CID 57114251
N,N-dimethyl-1-phenylmethanamine;hydrobromide
CID 71398520
N,N-dimethyl-1-phenylmethanamine;phosphane
CID 174524909
N,N-dimethyl-1-phenylmethanamine;tetrahydrochloride
CID 172854351
benzene;N,N-dimethyl-1-phenylmethanamine;ethane
CID 90785154

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-N,N-dimethylprop-2-en-1-amine?
The IUPAC name of 2-benzylsulfanyl-N,N-dimethylprop-2-en-1-amine (CID 16726576) is 2-benzylsulfanyl-N,N-dimethylprop-2-en-1-amine.
What is the SMILES notation for 2-benzylsulfanyl-N,N-dimethylprop-2-en-1-amine?
The canonical SMILES for 2-benzylsulfanyl-N,N-dimethylprop-2-en-1-amine is C=C(CN(C)C)SCc1ccccc1.
What is the InChIKey of 2-benzylsulfanyl-N,N-dimethylprop-2-en-1-amine?
The InChIKey is IQCZRNAUWRRQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NS/c1-11(9-13(2)3)14-10-12-7-5-4-6-8-12/h4-8H,1,9-10H2,2-3H3.
What are the key properties of 2-benzylsulfanyl-N,N-dimethylprop-2-en-1-amine?
2-benzylsulfanyl-N,N-dimethylprop-2-en-1-amine has a molecular weight of 207.34 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-N,N-dimethylprop-2-en-1-amine is sourced from PubChem (CID 16726576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).