N-butan-2-yl-2-ethyl-2-methylsulfanylbutan-1-amine

C11H25NS — CID 103787204

IUPACN-butan-2-yl-2-ethyl-2-methylsulfanylbutan-1-amine
SMILESCCC(C)NCC(CC)(CC)SC
InChIInChI=1S/C11H25NS/c1-6-10(4)12-9-11(7-2,8-3)13-5/h10,12H,6-9H2,1-5H3
InChIKeyMNQCDQXZADILSC-UHFFFAOYSA-N
MW203.39 g/mol
LogP3.30
Rot. Bonds7

About N-butan-2-yl-2-ethyl-2-methylsulfanylbutan-1-amine

N-butan-2-yl-2-ethyl-2-methylsulfanylbutan-1-amine (PubChem CID 103787204) has the molecular formula C11H25NS and a molecular weight of 203.39 g/mol. Its IUPAC name is N-butan-2-yl-2-ethyl-2-methylsulfanylbutan-1-amine.

Molecular Properties

Compound NameN-butan-2-yl-2-ethyl-2-methylsulfanylbutan-1-amine
PubChem CID103787204
Molecular FormulaC11H25NS
Molecular Weight203.39 g/mol
Exact Mass203.17
IUPAC NameN-butan-2-yl-2-ethyl-2-methylsulfanylbutan-1-amine
SMILESCCC(C)NCC(CC)(CC)SC
InChIInChI=1S/C11H25NS/c1-6-10(4)12-9-11(7-2,8-3)13-5/h10,12H,6-9H2,1-5H3
InChIKeyMNQCDQXZADILSC-UHFFFAOYSA-N
XLogP3.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.39
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-butan-2-yl-2-ethyl-2-methylsulfanylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-ethyl-2-methylsulfanylbutan-1-amine?
The IUPAC name of N-butan-2-yl-2-ethyl-2-methylsulfanylbutan-1-amine (CID 103787204) is N-butan-2-yl-2-ethyl-2-methylsulfanylbutan-1-amine.
What is the SMILES notation for N-butan-2-yl-2-ethyl-2-methylsulfanylbutan-1-amine?
The canonical SMILES for N-butan-2-yl-2-ethyl-2-methylsulfanylbutan-1-amine is CCC(C)NCC(CC)(CC)SC.
What is the InChIKey of N-butan-2-yl-2-ethyl-2-methylsulfanylbutan-1-amine?
The InChIKey is MNQCDQXZADILSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NS/c1-6-10(4)12-9-11(7-2,8-3)13-5/h10,12H,6-9H2,1-5H3.
What are the key properties of N-butan-2-yl-2-ethyl-2-methylsulfanylbutan-1-amine?
N-butan-2-yl-2-ethyl-2-methylsulfanylbutan-1-amine has a molecular weight of 203.39 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-ethyl-2-methylsulfanylbutan-1-amine is sourced from PubChem (CID 103787204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).