2-benzhydrylsulfanyl-N,N-dimethylethanamine

C17H21NS — CID 3028320

IUPAC2-benzhydrylsulfanyl-N,N-dimethylethanamine
SMILESCN(C)CCSC(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H21NS/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3
InChIKeyILKSGFCZAVPHSM-UHFFFAOYSA-N
MW271.43 g/mol
LogP4.07
Rot. Bonds6

About 2-benzhydrylsulfanyl-N,N-dimethylethanamine

2-benzhydrylsulfanyl-N,N-dimethylethanamine (PubChem CID 3028320) has the molecular formula C17H21NS and a molecular weight of 271.43 g/mol. Its IUPAC name is 2-benzhydrylsulfanyl-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-benzhydrylsulfanyl-N,N-dimethylethanamine
PubChem CID3028320
Molecular FormulaC17H21NS
Molecular Weight271.43 g/mol
Exact Mass271.14
IUPAC Name2-benzhydrylsulfanyl-N,N-dimethylethanamine
SMILESCN(C)CCSC(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H21NS/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3
InChIKeyILKSGFCZAVPHSM-UHFFFAOYSA-N
XLogP4.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-ethylsulfanylphenyl)-phenylmethyl]sulfanyl-N,N-dimethylethanamine
CID 3028321
2-[(S)-(4-butylsulfanylphenyl)-phenylmethyl]sulfanyl-N,N-dimethylethanamine
CID 76959959
2-[(4-hexylsulfanylphenyl)-phenylmethyl]sulfanyl-N,N-dimethylethanamine;hydrochloride
CID 117068980
[2-bromoethylsulfanyl(phenyl)methyl]benzene
CID 90389506
ethyl 2-[2-(dimethylamino)ethylsulfanyl]-2-phenylacetate
CID 113338798
N',N'-dimethyl-1-phenylpropane-1,3-diamine
CID 25248080
N-(2-benzhydrylsulfanylethyl)-2-phenylethanamine
CID 10089066
2-[(4-butylsulfanylphenyl)-phenylmethyl]sulfanyl-N,N-dimethylethanamine;2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]ethanol
CID 174806038
2-(dimethylamino)ethyl 2-chloro-2-phenylacetate
CID 101188921
2-(dimethylamino)ethyl 2-hydroxy-2-phenylacetate
CID 23617342
2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N,N-dimethylacetamide
CID 112777252
2-(3,3-diphenylpropoxy)-N,N-dimethylethanamine
CID 154143220

Frequently Asked Questions

What is the IUPAC name of 2-benzhydrylsulfanyl-N,N-dimethylethanamine?
The IUPAC name of 2-benzhydrylsulfanyl-N,N-dimethylethanamine (CID 3028320) is 2-benzhydrylsulfanyl-N,N-dimethylethanamine.
What is the SMILES notation for 2-benzhydrylsulfanyl-N,N-dimethylethanamine?
The canonical SMILES for 2-benzhydrylsulfanyl-N,N-dimethylethanamine is CN(C)CCSC(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-benzhydrylsulfanyl-N,N-dimethylethanamine?
The InChIKey is ILKSGFCZAVPHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NS/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3.
What are the key properties of 2-benzhydrylsulfanyl-N,N-dimethylethanamine?
2-benzhydrylsulfanyl-N,N-dimethylethanamine has a molecular weight of 271.43 g/mol, XLogP of 4.07, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzhydrylsulfanyl-N,N-dimethylethanamine is sourced from PubChem (CID 3028320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).