(2S)-N-methyl-2-methylsulfanyl-N-propan-2-ylpropan-1-amine

C8H19NS — CID 166781330

IUPAC(2S)-N-methyl-2-methylsulfanyl-N-propan-2-ylpropan-1-amine
SMILESCS[C@@H](C)CN(C)C(C)C
InChIInChI=1S/C8H19NS/c1-7(2)9(4)6-8(3)10-5/h7-8H,6H2,1-5H3/t8-/m0/s1
InChIKeyAEKDAFKTRPDDBZ-QMMMGPOBSA-N
MW161.31 g/mol
LogP2.08
Rot. Bonds4

About (2S)-N-methyl-2-methylsulfanyl-N-propan-2-ylpropan-1-amine

(2S)-N-methyl-2-methylsulfanyl-N-propan-2-ylpropan-1-amine (PubChem CID 166781330) has the molecular formula C8H19NS and a molecular weight of 161.31 g/mol. Its IUPAC name is (2S)-N-methyl-2-methylsulfanyl-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name(2S)-N-methyl-2-methylsulfanyl-N-propan-2-ylpropan-1-amine
PubChem CID166781330
Molecular FormulaC8H19NS
Molecular Weight161.31 g/mol
Exact Mass161.12
IUPAC Name(2S)-N-methyl-2-methylsulfanyl-N-propan-2-ylpropan-1-amine
SMILESCS[C@@H](C)CN(C)C(C)C
InChIInChI=1S/C8H19NS/c1-7(2)9(4)6-8(3)10-5/h7-8H,6H2,1-5H3/t8-/m0/s1
InChIKeyAEKDAFKTRPDDBZ-QMMMGPOBSA-N
XLogP2.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.31
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,2-dimethyl-3-methylsulfanyl-N-propan-2-ylpropan-1-amine;ethane
CID 142151836
(2S)-1-[methyl(propan-2-yl)amino]propan-2-ol
CID 93346500
CID 166489938
CID 166489938
N-methyl-N-(1-methylsulfanylethyl)propan-2-amine
CID 123638292
N,3-dimethyl-2-[3-methyl-1-[methyl(propan-2-yl)amino]butan-2-yl]peroxy-N-propan-2-ylbutan-1-amine
CID 126577485
2-methyl-3-[methyl(propan-2-yl)amino]propanenitrile
CID 43367383
3-N-methyl-3-N-propan-2-ylpropane-1,2,3-triamine
CID 115119484
2-N-ethyl-1-N,2-N-dimethyl-1-N-propan-2-ylbutane-1,2-diamine
CID 164857720
1-N,4-dimethyl-1-N-propan-2-ylpentane-1,2-diamine
CID 43199687
1-N,3,3-trimethyl-1-N-propan-2-ylbutane-1,2-diamine
CID 16795578
N,N-dimethyl-5-methylsulfanylhexan-3-amine
CID 177172917
N,2-dimethyl-N-propan-2-yl-3-prop-1-en-2-ylsulfanylpropan-1-amine
CID 170131464

Frequently Asked Questions

What is the IUPAC name of (2S)-N-methyl-2-methylsulfanyl-N-propan-2-ylpropan-1-amine?
The IUPAC name of (2S)-N-methyl-2-methylsulfanyl-N-propan-2-ylpropan-1-amine (CID 166781330) is (2S)-N-methyl-2-methylsulfanyl-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for (2S)-N-methyl-2-methylsulfanyl-N-propan-2-ylpropan-1-amine?
The canonical SMILES for (2S)-N-methyl-2-methylsulfanyl-N-propan-2-ylpropan-1-amine is CS[C@@H](C)CN(C)C(C)C.
What is the InChIKey of (2S)-N-methyl-2-methylsulfanyl-N-propan-2-ylpropan-1-amine?
The InChIKey is AEKDAFKTRPDDBZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H19NS/c1-7(2)9(4)6-8(3)10-5/h7-8H,6H2,1-5H3/t8-/m0/s1.
What are the key properties of (2S)-N-methyl-2-methylsulfanyl-N-propan-2-ylpropan-1-amine?
(2S)-N-methyl-2-methylsulfanyl-N-propan-2-ylpropan-1-amine has a molecular weight of 161.31 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methyl-2-methylsulfanyl-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 166781330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).