N,N,2-trimethyl-2-phenylsulfanylpropan-1-amine

C12H19NS — CID 141093306

IUPACN,N,2-trimethyl-2-phenylsulfanylpropan-1-amine
SMILESCN(C)CC(C)(C)Sc1ccccc1
InChIInChI=1S/C12H19NS/c1-12(2,10-13(3)4)14-11-8-6-5-7-9-11/h5-9H,10H2,1-4H3
InChIKeyZZMSKPGAKKDLTK-UHFFFAOYSA-N
MW209.36 g/mol
LogP3.12
Rot. Bonds4

About N,N,2-trimethyl-2-phenylsulfanylpropan-1-amine

N,N,2-trimethyl-2-phenylsulfanylpropan-1-amine (PubChem CID 141093306) has the molecular formula C12H19NS and a molecular weight of 209.36 g/mol. Its IUPAC name is N,N,2-trimethyl-2-phenylsulfanylpropan-1-amine.

Molecular Properties

Compound NameN,N,2-trimethyl-2-phenylsulfanylpropan-1-amine
PubChem CID141093306
Molecular FormulaC12H19NS
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC NameN,N,2-trimethyl-2-phenylsulfanylpropan-1-amine
SMILESCN(C)CC(C)(C)Sc1ccccc1
InChIInChI=1S/C12H19NS/c1-12(2,10-13(3)4)14-11-8-6-5-7-9-11/h5-9H,10H2,1-4H3
InChIKeyZZMSKPGAKKDLTK-UHFFFAOYSA-N
XLogP3.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.36
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-2-methyl-2-phenylsulfanylpropan-1-amine
CID 71389612
2,3-dimethylbut-3-en-2-ylsulfanylbenzene
CID 14947992
2-methyl-2-phenylsulfanylpropanedinitrile
CID 86164995
2-methylbut-3-yn-2-ylsulfanylbenzene
CID 86002618
[1,2-bis(methylsulfanyl)-1,2,2-tris(phenylsulfanyl)ethyl]sulfanylbenzene
CID 22765410
2-methyl-2-phenylsulfanylpentan-3-one
CID 13353123
N,N,2-trimethyl-2-(2-methylphenyl)propan-1-amine
CID 21365305
3-(dimethylamino)-2,2-dimethyl-1-phenylpropan-1-ol;hydrochloride
CID 117067676
3-(dimethylamino)-2-hydroxy-2-methyl-1-phenylpropan-1-one
CID 20547331
3-(dimethylamino)-2,2-dimethyl-1-phenylpropan-1-one;hydrochloride
CID 21116615
5-(2-methyl-2-phenylsulfanylpropyl)-2-propan-2-ylsulfanyl-4,5-dihydro-1H-imidazole
CID 134454150
(2,4,4-trimethylpentan-2-yldisulfanyl)benzene
CID 140997209

Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethyl-2-phenylsulfanylpropan-1-amine?
The IUPAC name of N,N,2-trimethyl-2-phenylsulfanylpropan-1-amine (CID 141093306) is N,N,2-trimethyl-2-phenylsulfanylpropan-1-amine.
What is the SMILES notation for N,N,2-trimethyl-2-phenylsulfanylpropan-1-amine?
The canonical SMILES for N,N,2-trimethyl-2-phenylsulfanylpropan-1-amine is CN(C)CC(C)(C)Sc1ccccc1.
What is the InChIKey of N,N,2-trimethyl-2-phenylsulfanylpropan-1-amine?
The InChIKey is ZZMSKPGAKKDLTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NS/c1-12(2,10-13(3)4)14-11-8-6-5-7-9-11/h5-9H,10H2,1-4H3.
What are the key properties of N,N,2-trimethyl-2-phenylsulfanylpropan-1-amine?
N,N,2-trimethyl-2-phenylsulfanylpropan-1-amine has a molecular weight of 209.36 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethyl-2-phenylsulfanylpropan-1-amine is sourced from PubChem (CID 141093306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).