4,4-dimethyl-1-(thiolan-3-yl)pentan-1-amine

C11H23NS — CID 105140141

IUPAC4,4-dimethyl-1-(thiolan-3-yl)pentan-1-amine
SMILESCC(C)(C)CCC(N)C1CCSC1
InChIInChI=1S/C11H23NS/c1-11(2,3)6-4-10(12)9-5-7-13-8-9/h9-10H,4-8,12H2,1-3H3
InChIKeyKRAJWSMUQOZMLD-UHFFFAOYSA-N
MW201.38 g/mol
LogP2.89
Rot. Bonds3

About 4,4-dimethyl-1-(thiolan-3-yl)pentan-1-amine

4,4-dimethyl-1-(thiolan-3-yl)pentan-1-amine (PubChem CID 105140141) has the molecular formula C11H23NS and a molecular weight of 201.38 g/mol. Its IUPAC name is 4,4-dimethyl-1-(thiolan-3-yl)pentan-1-amine.

Molecular Properties

Compound Name4,4-dimethyl-1-(thiolan-3-yl)pentan-1-amine
PubChem CID105140141
Molecular FormulaC11H23NS
Molecular Weight201.38 g/mol
Exact Mass201.16
IUPAC Name4,4-dimethyl-1-(thiolan-3-yl)pentan-1-amine
SMILESCC(C)(C)CCC(N)C1CCSC1
InChIInChI=1S/C11H23NS/c1-11(2,3)6-4-10(12)9-5-7-13-8-9/h9-10H,4-8,12H2,1-3H3
InChIKeyKRAJWSMUQOZMLD-UHFFFAOYSA-N
XLogP2.89
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.38
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4,4-dimethyl-1-(thiolan-3-yl)pentan-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 4,4-dimethyl-1-(thiolan-3-yl)pentan-1-amine?
The IUPAC name of 4,4-dimethyl-1-(thiolan-3-yl)pentan-1-amine (CID 105140141) is 4,4-dimethyl-1-(thiolan-3-yl)pentan-1-amine.
What is the SMILES notation for 4,4-dimethyl-1-(thiolan-3-yl)pentan-1-amine?
The canonical SMILES for 4,4-dimethyl-1-(thiolan-3-yl)pentan-1-amine is CC(C)(C)CCC(N)C1CCSC1.
What is the InChIKey of 4,4-dimethyl-1-(thiolan-3-yl)pentan-1-amine?
The InChIKey is KRAJWSMUQOZMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NS/c1-11(2,3)6-4-10(12)9-5-7-13-8-9/h9-10H,4-8,12H2,1-3H3.
What are the key properties of 4,4-dimethyl-1-(thiolan-3-yl)pentan-1-amine?
4,4-dimethyl-1-(thiolan-3-yl)pentan-1-amine has a molecular weight of 201.38 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-(thiolan-3-yl)pentan-1-amine is sourced from PubChem (CID 105140141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).