N-tert-butylsulfanyl-N-methylmethanamine;ethane

C8H21NS — CID 166107101

IUPACN-tert-butylsulfanyl-N-methylmethanamine;ethane
SMILESCC.CN(C)SC(C)(C)C
InChIInChI=1S/C6H15NS.C2H6/c1-6(2,3)8-7(4)5;1-2/h1-5H3;1-2H3
InChIKeyQCLPPQVESIBLKE-UHFFFAOYSA-N
MW163.33 g/mol
LogP3.02
Rot. Bonds1

About N-tert-butylsulfanyl-N-methylmethanamine;ethane

N-tert-butylsulfanyl-N-methylmethanamine;ethane (PubChem CID 166107101) has the molecular formula C8H21NS and a molecular weight of 163.33 g/mol. Its IUPAC name is N-tert-butylsulfanyl-N-methylmethanamine;ethane.

Molecular Properties

Compound NameN-tert-butylsulfanyl-N-methylmethanamine;ethane
PubChem CID166107101
Molecular FormulaC8H21NS
Molecular Weight163.33 g/mol
Exact Mass163.14
IUPAC NameN-tert-butylsulfanyl-N-methylmethanamine;ethane
SMILESCC.CN(C)SC(C)(C)C
InChIInChI=1S/C6H15NS.C2H6/c1-6(2,3)8-7(4)5;1-2/h1-5H3;1-2H3
InChIKeyQCLPPQVESIBLKE-UHFFFAOYSA-N
XLogP3.02
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.33
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-tert-butylsulfanyl-N-methylmethanamine;ethane?
The IUPAC name of N-tert-butylsulfanyl-N-methylmethanamine;ethane (CID 166107101) is N-tert-butylsulfanyl-N-methylmethanamine;ethane.
What is the SMILES notation for N-tert-butylsulfanyl-N-methylmethanamine;ethane?
The canonical SMILES for N-tert-butylsulfanyl-N-methylmethanamine;ethane is CC.CN(C)SC(C)(C)C.
What is the InChIKey of N-tert-butylsulfanyl-N-methylmethanamine;ethane?
The InChIKey is QCLPPQVESIBLKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NS.C2H6/c1-6(2,3)8-7(4)5;1-2/h1-5H3;1-2H3.
What are the key properties of N-tert-butylsulfanyl-N-methylmethanamine;ethane?
N-tert-butylsulfanyl-N-methylmethanamine;ethane has a molecular weight of 163.33 g/mol, XLogP of 3.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butylsulfanyl-N-methylmethanamine;ethane is sourced from PubChem (CID 166107101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).