N-methyl-N-(thiepan-2-ylmethyl)propan-1-amine

C11H23NS — CID 169307462

IUPACN-methyl-N-(thiepan-2-ylmethyl)propan-1-amine
SMILESCCCN(C)CC1CCCCCS1
InChIInChI=1S/C11H23NS/c1-3-8-12(2)10-11-7-5-4-6-9-13-11/h11H,3-10H2,1-2H3
InChIKeyXULSMDCBWUJGGE-UHFFFAOYSA-N
MW201.38 g/mol
LogP3.00
Rot. Bonds4

About N-methyl-N-(thiepan-2-ylmethyl)propan-1-amine

N-methyl-N-(thiepan-2-ylmethyl)propan-1-amine (PubChem CID 169307462) has the molecular formula C11H23NS and a molecular weight of 201.38 g/mol. Its IUPAC name is N-methyl-N-(thiepan-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-N-(thiepan-2-ylmethyl)propan-1-amine
PubChem CID169307462
Molecular FormulaC11H23NS
Molecular Weight201.38 g/mol
Exact Mass201.16
IUPAC NameN-methyl-N-(thiepan-2-ylmethyl)propan-1-amine
SMILESCCCN(C)CC1CCCCCS1
InChIInChI=1S/C11H23NS/c1-3-8-12(2)10-11-7-5-4-6-9-13-11/h11H,3-10H2,1-2H3
InChIKeyXULSMDCBWUJGGE-UHFFFAOYSA-N
XLogP3.00
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 ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(thiepan-2-ylmethyl)propan-1-amine?
The IUPAC name of N-methyl-N-(thiepan-2-ylmethyl)propan-1-amine (CID 169307462) is N-methyl-N-(thiepan-2-ylmethyl)propan-1-amine.
What is the SMILES notation for N-methyl-N-(thiepan-2-ylmethyl)propan-1-amine?
The canonical SMILES for N-methyl-N-(thiepan-2-ylmethyl)propan-1-amine is CCCN(C)CC1CCCCCS1.
What is the InChIKey of N-methyl-N-(thiepan-2-ylmethyl)propan-1-amine?
The InChIKey is XULSMDCBWUJGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NS/c1-3-8-12(2)10-11-7-5-4-6-9-13-11/h11H,3-10H2,1-2H3.
What are the key properties of N-methyl-N-(thiepan-2-ylmethyl)propan-1-amine?
N-methyl-N-(thiepan-2-ylmethyl)propan-1-amine has a molecular weight of 201.38 g/mol, XLogP of 3.00, 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-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 169307462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).