N-methyl-N-(thiepan-4-ylmethyl)propan-1-amine

C11H23NS — CID 169307410

IUPACN-methyl-N-(thiepan-4-ylmethyl)propan-1-amine
SMILESCCCN(C)CC1CCCSCC1
InChIInChI=1S/C11H23NS/c1-3-7-12(2)10-11-5-4-8-13-9-6-11/h11H,3-10H2,1-2H3
InChIKeyXHHCBCOTSOLNRH-UHFFFAOYSA-N
MW201.38 g/mol
LogP2.86
Rot. Bonds4

About N-methyl-N-(thiepan-4-ylmethyl)propan-1-amine

N-methyl-N-(thiepan-4-ylmethyl)propan-1-amine (PubChem CID 169307410) has the molecular formula C11H23NS and a molecular weight of 201.38 g/mol. Its IUPAC name is N-methyl-N-(thiepan-4-ylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-N-(thiepan-4-ylmethyl)propan-1-amine
PubChem CID169307410
Molecular FormulaC11H23NS
Molecular Weight201.38 g/mol
Exact Mass201.16
IUPAC NameN-methyl-N-(thiepan-4-ylmethyl)propan-1-amine
SMILESCCCN(C)CC1CCCSCC1
InChIInChI=1S/C11H23NS/c1-3-7-12(2)10-11-5-4-8-13-9-6-11/h11H,3-10H2,1-2H3
InChIKeyXHHCBCOTSOLNRH-UHFFFAOYSA-N
XLogP2.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.38
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-methyl-N-(thiepan-4-ylmethyl)propan-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-methyl-N-(thiepan-4-ylmethyl)propan-1-amine?
The IUPAC name of N-methyl-N-(thiepan-4-ylmethyl)propan-1-amine (CID 169307410) is N-methyl-N-(thiepan-4-ylmethyl)propan-1-amine.
What is the SMILES notation for N-methyl-N-(thiepan-4-ylmethyl)propan-1-amine?
The canonical SMILES for N-methyl-N-(thiepan-4-ylmethyl)propan-1-amine is CCCN(C)CC1CCCSCC1.
What is the InChIKey of N-methyl-N-(thiepan-4-ylmethyl)propan-1-amine?
The InChIKey is XHHCBCOTSOLNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NS/c1-3-7-12(2)10-11-5-4-8-13-9-6-11/h11H,3-10H2,1-2H3.
What are the key properties of N-methyl-N-(thiepan-4-ylmethyl)propan-1-amine?
N-methyl-N-(thiepan-4-ylmethyl)propan-1-amine has a molecular weight of 201.38 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(thiepan-4-ylmethyl)propan-1-amine is sourced from PubChem (CID 169307410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).