(2S)-2-ethyl-2-methyl-N-methylsulfanylhexan-1-amine

C10H23NS — CID 163681640

IUPAC(2S)-2-ethyl-2-methyl-N-methylsulfanylhexan-1-amine
SMILESCCCC[C@](C)(CC)CNSC
InChIInChI=1S/C10H23NS/c1-5-7-8-10(3,6-2)9-11-12-4/h11H,5-9H2,1-4H3/t10-/m0/s1
InChIKeyJLILAWQTECTLEM-JTQLQIEISA-N
MW189.37 g/mol
LogP3.46
Rot. Bonds7

About (2S)-2-ethyl-2-methyl-N-methylsulfanylhexan-1-amine

(2S)-2-ethyl-2-methyl-N-methylsulfanylhexan-1-amine (PubChem CID 163681640) has the molecular formula C10H23NS and a molecular weight of 189.37 g/mol. Its IUPAC name is (2S)-2-ethyl-2-methyl-N-methylsulfanylhexan-1-amine.

Molecular Properties

Compound Name(2S)-2-ethyl-2-methyl-N-methylsulfanylhexan-1-amine
PubChem CID163681640
Molecular FormulaC10H23NS
Molecular Weight189.37 g/mol
Exact Mass189.16
IUPAC Name(2S)-2-ethyl-2-methyl-N-methylsulfanylhexan-1-amine
SMILESCCCC[C@](C)(CC)CNSC
InChIInChI=1S/C10H23NS/c1-5-7-8-10(3,6-2)9-11-12-4/h11H,5-9H2,1-4H3/t10-/m0/s1
InChIKeyJLILAWQTECTLEM-JTQLQIEISA-N
XLogP3.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.37
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-N,2-dimethylundecan-1-amine
CID 63508847
N-tert-butyl-2-ethyl-2-methylheptan-1-amine
CID 63508148
5-ethyl-5-methylundecane
CID 57491570
5-ethyl-5-methylhenicosane
CID 86034991
4-ethyl-4-methyloctane;propane
CID 176660925
5-ethyl-5-methylhentetracontane
CID 123896152
3-(methoxymethyl)-3-methylheptane
CID 91024730
3-ethyl-3-methyltetradecane
CID 54159558
3-ethyl-3-methyldodecane
CID 56619966
3-ethyl-3-methyldecane
CID 545661
5-butyl-5-methylpentadecane
CID 174700907
ethane;4-ethyl-4-methylnonane
CID 164538733

Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethyl-2-methyl-N-methylsulfanylhexan-1-amine?
The IUPAC name of (2S)-2-ethyl-2-methyl-N-methylsulfanylhexan-1-amine (CID 163681640) is (2S)-2-ethyl-2-methyl-N-methylsulfanylhexan-1-amine.
What is the SMILES notation for (2S)-2-ethyl-2-methyl-N-methylsulfanylhexan-1-amine?
The canonical SMILES for (2S)-2-ethyl-2-methyl-N-methylsulfanylhexan-1-amine is CCCC[C@](C)(CC)CNSC.
What is the InChIKey of (2S)-2-ethyl-2-methyl-N-methylsulfanylhexan-1-amine?
The InChIKey is JLILAWQTECTLEM-JTQLQIEISA-N. The full InChI is InChI=1S/C10H23NS/c1-5-7-8-10(3,6-2)9-11-12-4/h11H,5-9H2,1-4H3/t10-/m0/s1.
What are the key properties of (2S)-2-ethyl-2-methyl-N-methylsulfanylhexan-1-amine?
(2S)-2-ethyl-2-methyl-N-methylsulfanylhexan-1-amine has a molecular weight of 189.37 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethyl-2-methyl-N-methylsulfanylhexan-1-amine is sourced from PubChem (CID 163681640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).