1-tert-butylsulfanyl-N-methylmethanamine

C6H15NS — CID 13233033

IUPAC1-tert-butylsulfanyl-N-methylmethanamine
SMILESCNCSC(C)(C)C
InChIInChI=1S/C6H15NS/c1-6(2,3)8-5-7-4/h7H,5H2,1-4H3
InChIKeyDTLHBUJNLALEPH-UHFFFAOYSA-N
MW133.26 g/mol
LogP1.70
Rot. Bonds2

About 1-tert-butylsulfanyl-N-methylmethanamine

1-tert-butylsulfanyl-N-methylmethanamine (PubChem CID 13233033) has the molecular formula C6H15NS and a molecular weight of 133.26 g/mol. Its IUPAC name is 1-tert-butylsulfanyl-N-methylmethanamine.

Molecular Properties

Compound Name1-tert-butylsulfanyl-N-methylmethanamine
PubChem CID13233033
Molecular FormulaC6H15NS
Molecular Weight133.26 g/mol
Exact Mass133.09
IUPAC Name1-tert-butylsulfanyl-N-methylmethanamine
SMILESCNCSC(C)(C)C
InChIInChI=1S/C6H15NS/c1-6(2,3)8-5-7-4/h7H,5H2,1-4H3
InChIKeyDTLHBUJNLALEPH-UHFFFAOYSA-N
XLogP1.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.26
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1,2-Bis(tert-butylthio)ethane Borane
CID 23106025
borane;2-(2-tert-butylsulfanylethylsulfanyl)-2-methylpropane
CID 2733083
1-tert-butylsulfanyl-N,3-dimethylbutan-2-amine
CID 65132391
4-tert-butylsulfanyl-N-methylbutan-2-amine
CID 64614270
2-(tert-butylsulfanylmethyl)-3-(methylamino)propanoic acid
CID 146645107
2-methyl-2-(methylsulfanylmethylsulfanyl)propane
CID 126500587
1-tert-butylsulfanylhexane
CID 12957071
1-tert-butylsulfanyl-N-methylnonan-2-amine
CID 65132720
tert-butylsulfanylmethyl(dimethyl)azanium
CID 156676227
2-(2-bromoethylsulfanyl)-2-methylpropane
CID 43445846
1-(2-tert-butylhydrazinyl)-N-methylmethanamine
CID 139323855
2-tert-butylsulfanyl-N-[2-(methylamino)propyl]acetamide;hydrochloride
CID 120829687

Frequently Asked Questions

What is the IUPAC name of 1-tert-butylsulfanyl-N-methylmethanamine?
The IUPAC name of 1-tert-butylsulfanyl-N-methylmethanamine (CID 13233033) is 1-tert-butylsulfanyl-N-methylmethanamine.
What is the SMILES notation for 1-tert-butylsulfanyl-N-methylmethanamine?
The canonical SMILES for 1-tert-butylsulfanyl-N-methylmethanamine is CNCSC(C)(C)C.
What is the InChIKey of 1-tert-butylsulfanyl-N-methylmethanamine?
The InChIKey is DTLHBUJNLALEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NS/c1-6(2,3)8-5-7-4/h7H,5H2,1-4H3.
What are the key properties of 1-tert-butylsulfanyl-N-methylmethanamine?
1-tert-butylsulfanyl-N-methylmethanamine has a molecular weight of 133.26 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylsulfanyl-N-methylmethanamine is sourced from PubChem (CID 13233033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).