(2S)-N,N-dimethyl-2-(2-methylbutan-2-ylsulfanyl)propan-1-amine

C10H23NS — CID 134275557

IUPAC(2S)-N,N-dimethyl-2-(2-methylbutan-2-ylsulfanyl)propan-1-amine
SMILESCCC(C)(C)S[C@@H](C)CN(C)C
InChIInChI=1S/C10H23NS/c1-7-10(3,4)12-9(2)8-11(5)6/h9H,7-8H2,1-6H3/t9-/m0/s1
InChIKeyQMXWWQHJYXQBAS-VIFPVBQESA-N
MW189.37 g/mol
LogP2.86
Rot. Bonds5

About (2S)-N,N-dimethyl-2-(2-methylbutan-2-ylsulfanyl)propan-1-amine

(2S)-N,N-dimethyl-2-(2-methylbutan-2-ylsulfanyl)propan-1-amine (PubChem CID 134275557) has the molecular formula C10H23NS and a molecular weight of 189.37 g/mol. Its IUPAC name is (2S)-N,N-dimethyl-2-(2-methylbutan-2-ylsulfanyl)propan-1-amine.

Molecular Properties

Compound Name(2S)-N,N-dimethyl-2-(2-methylbutan-2-ylsulfanyl)propan-1-amine
PubChem CID134275557
Molecular FormulaC10H23NS
Molecular Weight189.37 g/mol
Exact Mass189.16
IUPAC Name(2S)-N,N-dimethyl-2-(2-methylbutan-2-ylsulfanyl)propan-1-amine
SMILESCCC(C)(C)S[C@@H](C)CN(C)C
InChIInChI=1S/C10H23NS/c1-7-10(3,4)12-9(2)8-11(5)6/h9H,7-8H2,1-6H3/t9-/m0/s1
InChIKeyQMXWWQHJYXQBAS-VIFPVBQESA-N
XLogP2.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.37
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-N,N-dimethyl-2-(2-methylbutan-2-ylsulfanyl)propan-1-amine?
The IUPAC name of (2S)-N,N-dimethyl-2-(2-methylbutan-2-ylsulfanyl)propan-1-amine (CID 134275557) is (2S)-N,N-dimethyl-2-(2-methylbutan-2-ylsulfanyl)propan-1-amine.
What is the SMILES notation for (2S)-N,N-dimethyl-2-(2-methylbutan-2-ylsulfanyl)propan-1-amine?
The canonical SMILES for (2S)-N,N-dimethyl-2-(2-methylbutan-2-ylsulfanyl)propan-1-amine is CCC(C)(C)S[C@@H](C)CN(C)C.
What is the InChIKey of (2S)-N,N-dimethyl-2-(2-methylbutan-2-ylsulfanyl)propan-1-amine?
The InChIKey is QMXWWQHJYXQBAS-VIFPVBQESA-N. The full InChI is InChI=1S/C10H23NS/c1-7-10(3,4)12-9(2)8-11(5)6/h9H,7-8H2,1-6H3/t9-/m0/s1.
What are the key properties of (2S)-N,N-dimethyl-2-(2-methylbutan-2-ylsulfanyl)propan-1-amine?
(2S)-N,N-dimethyl-2-(2-methylbutan-2-ylsulfanyl)propan-1-amine has a molecular weight of 189.37 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,N-dimethyl-2-(2-methylbutan-2-ylsulfanyl)propan-1-amine is sourced from PubChem (CID 134275557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).