4-tert-butylsulfanyl-N-methylbutan-2-amine

C9H21NS — CID 64614270

IUPAC4-tert-butylsulfanyl-N-methylbutan-2-amine
SMILESCNC(C)CCSC(C)(C)C
InChIInChI=1S/C9H21NS/c1-8(10-5)6-7-11-9(2,3)4/h8,10H,6-7H2,1-5H3
InChIKeyQGRDAOXYPNXOSB-UHFFFAOYSA-N
MW175.34 g/mol
LogP2.52
Rot. Bonds4

About 4-tert-butylsulfanyl-N-methylbutan-2-amine

4-tert-butylsulfanyl-N-methylbutan-2-amine (PubChem CID 64614270) has the molecular formula C9H21NS and a molecular weight of 175.34 g/mol. Its IUPAC name is 4-tert-butylsulfanyl-N-methylbutan-2-amine.

Molecular Properties

Compound Name4-tert-butylsulfanyl-N-methylbutan-2-amine
PubChem CID64614270
Molecular FormulaC9H21NS
Molecular Weight175.34 g/mol
Exact Mass175.14
IUPAC Name4-tert-butylsulfanyl-N-methylbutan-2-amine
SMILESCNC(C)CCSC(C)(C)C
InChIInChI=1S/C9H21NS/c1-8(10-5)6-7-11-9(2,3)4/h8,10H,6-7H2,1-5H3
InChIKeyQGRDAOXYPNXOSB-UHFFFAOYSA-N
XLogP2.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.34
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butylsulfanyl-N-methylbutan-2-amine?
The IUPAC name of 4-tert-butylsulfanyl-N-methylbutan-2-amine (CID 64614270) is 4-tert-butylsulfanyl-N-methylbutan-2-amine.
What is the SMILES notation for 4-tert-butylsulfanyl-N-methylbutan-2-amine?
The canonical SMILES for 4-tert-butylsulfanyl-N-methylbutan-2-amine is CNC(C)CCSC(C)(C)C.
What is the InChIKey of 4-tert-butylsulfanyl-N-methylbutan-2-amine?
The InChIKey is QGRDAOXYPNXOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NS/c1-8(10-5)6-7-11-9(2,3)4/h8,10H,6-7H2,1-5H3.
What are the key properties of 4-tert-butylsulfanyl-N-methylbutan-2-amine?
4-tert-butylsulfanyl-N-methylbutan-2-amine has a molecular weight of 175.34 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butylsulfanyl-N-methylbutan-2-amine is sourced from PubChem (CID 64614270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).