2-methyl-N-(thian-2-ylmethyl)thiolan-3-amine

C11H21NS2 — CID 102672978

IUPAC2-methyl-N-(thian-2-ylmethyl)thiolan-3-amine
SMILESCC1SCCC1NCC1CCCCS1
InChIInChI=1S/C11H21NS2/c1-9-11(5-7-13-9)12-8-10-4-2-3-6-14-10/h9-12H,2-8H2,1H3
InChIKeyPXGQOMFALWFCTI-UHFFFAOYSA-N
MW231.43 g/mol
LogP2.76
Rot. Bonds3

About 2-methyl-N-(thian-2-ylmethyl)thiolan-3-amine

2-methyl-N-(thian-2-ylmethyl)thiolan-3-amine (PubChem CID 102672978) has the molecular formula C11H21NS2 and a molecular weight of 231.43 g/mol. Its IUPAC name is 2-methyl-N-(thian-2-ylmethyl)thiolan-3-amine.

Molecular Properties

Compound Name2-methyl-N-(thian-2-ylmethyl)thiolan-3-amine
PubChem CID102672978
Molecular FormulaC11H21NS2
Molecular Weight231.43 g/mol
Exact Mass231.11
IUPAC Name2-methyl-N-(thian-2-ylmethyl)thiolan-3-amine
SMILESCC1SCCC1NCC1CCCCS1
InChIInChI=1S/C11H21NS2/c1-9-11(5-7-13-9)12-8-10-4-2-3-6-14-10/h9-12H,2-8H2,1H3
InChIKeyPXGQOMFALWFCTI-UHFFFAOYSA-N
XLogP2.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.43
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(thian-2-ylmethyl)thiolan-3-amine?
The IUPAC name of 2-methyl-N-(thian-2-ylmethyl)thiolan-3-amine (CID 102672978) is 2-methyl-N-(thian-2-ylmethyl)thiolan-3-amine.
What is the SMILES notation for 2-methyl-N-(thian-2-ylmethyl)thiolan-3-amine?
The canonical SMILES for 2-methyl-N-(thian-2-ylmethyl)thiolan-3-amine is CC1SCCC1NCC1CCCCS1.
What is the InChIKey of 2-methyl-N-(thian-2-ylmethyl)thiolan-3-amine?
The InChIKey is PXGQOMFALWFCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NS2/c1-9-11(5-7-13-9)12-8-10-4-2-3-6-14-10/h9-12H,2-8H2,1H3.
What are the key properties of 2-methyl-N-(thian-2-ylmethyl)thiolan-3-amine?
2-methyl-N-(thian-2-ylmethyl)thiolan-3-amine has a molecular weight of 231.43 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(thian-2-ylmethyl)thiolan-3-amine is sourced from PubChem (CID 102672978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).