N-ethyl-4-methylsulfanyl-N-propan-2-ylpentan-1-amine

C11H25NS — CID 129028249

IUPACN-ethyl-4-methylsulfanyl-N-propan-2-ylpentan-1-amine
SMILESCCN(CCCC(C)SC)C(C)C
InChIInChI=1S/C11H25NS/c1-6-12(10(2)3)9-7-8-11(4)13-5/h10-11H,6-9H2,1-5H3
InChIKeyXLAYMEWJGRUILM-UHFFFAOYSA-N
MW203.39 g/mol
LogP3.25
Rot. Bonds7

About N-ethyl-4-methylsulfanyl-N-propan-2-ylpentan-1-amine

N-ethyl-4-methylsulfanyl-N-propan-2-ylpentan-1-amine (PubChem CID 129028249) has the molecular formula C11H25NS and a molecular weight of 203.39 g/mol. Its IUPAC name is N-ethyl-4-methylsulfanyl-N-propan-2-ylpentan-1-amine.

Molecular Properties

Compound NameN-ethyl-4-methylsulfanyl-N-propan-2-ylpentan-1-amine
PubChem CID129028249
Molecular FormulaC11H25NS
Molecular Weight203.39 g/mol
Exact Mass203.17
IUPAC NameN-ethyl-4-methylsulfanyl-N-propan-2-ylpentan-1-amine
SMILESCCN(CCCC(C)SC)C(C)C
InChIInChI=1S/C11H25NS/c1-6-12(10(2)3)9-7-8-11(4)13-5/h10-11H,6-9H2,1-5H3
InChIKeyXLAYMEWJGRUILM-UHFFFAOYSA-N
XLogP3.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.39
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-ethyl-4-methylsulfanyl-N-propan-2-ylpentan-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-ethyl-4-methylsulfanyl-N-propan-2-ylpentan-1-amine?
The IUPAC name of N-ethyl-4-methylsulfanyl-N-propan-2-ylpentan-1-amine (CID 129028249) is N-ethyl-4-methylsulfanyl-N-propan-2-ylpentan-1-amine.
What is the SMILES notation for N-ethyl-4-methylsulfanyl-N-propan-2-ylpentan-1-amine?
The canonical SMILES for N-ethyl-4-methylsulfanyl-N-propan-2-ylpentan-1-amine is CCN(CCCC(C)SC)C(C)C.
What is the InChIKey of N-ethyl-4-methylsulfanyl-N-propan-2-ylpentan-1-amine?
The InChIKey is XLAYMEWJGRUILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NS/c1-6-12(10(2)3)9-7-8-11(4)13-5/h10-11H,6-9H2,1-5H3.
What are the key properties of N-ethyl-4-methylsulfanyl-N-propan-2-ylpentan-1-amine?
N-ethyl-4-methylsulfanyl-N-propan-2-ylpentan-1-amine has a molecular weight of 203.39 g/mol, XLogP of 3.25, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methylsulfanyl-N-propan-2-ylpentan-1-amine is sourced from PubChem (CID 129028249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).