5-methyl-1-(thiolan-2-yl)hexan-1-amine

C11H23NS — CID 83160752

IUPAC5-methyl-1-(thiolan-2-yl)hexan-1-amine
SMILESCC(C)CCCC(N)C1CCCS1
InChIInChI=1S/C11H23NS/c1-9(2)5-3-6-10(12)11-7-4-8-13-11/h9-11H,3-8,12H2,1-2H3
InChIKeyGJBYGJAAZJNLOU-UHFFFAOYSA-N
MW201.38 g/mol
LogP3.04
Rot. Bonds5

About 5-methyl-1-(thiolan-2-yl)hexan-1-amine

5-methyl-1-(thiolan-2-yl)hexan-1-amine (PubChem CID 83160752) has the molecular formula C11H23NS and a molecular weight of 201.38 g/mol. Its IUPAC name is 5-methyl-1-(thiolan-2-yl)hexan-1-amine.

Molecular Properties

Compound Name5-methyl-1-(thiolan-2-yl)hexan-1-amine
PubChem CID83160752
Molecular FormulaC11H23NS
Molecular Weight201.38 g/mol
Exact Mass201.16
IUPAC Name5-methyl-1-(thiolan-2-yl)hexan-1-amine
SMILESCC(C)CCCC(N)C1CCCS1
InChIInChI=1S/C11H23NS/c1-9(2)5-3-6-10(12)11-7-4-8-13-11/h9-11H,3-8,12H2,1-2H3
InChIKeyGJBYGJAAZJNLOU-UHFFFAOYSA-N
XLogP3.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.38
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-1-(thiolan-2-yl)pentan-1-amine
CID 80622583
1-(thiolan-2-yl)hexan-1-amine
CID 80622704
4-methoxy-1-(thian-2-yl)butan-1-amine
CID 114856664
4-methyl-1-(thiolan-2-yl)pentan-1-ol
CID 80622430
1-cyclooctyl-5-methylhexan-1-amine
CID 83162244
3-cyclopropyl-1-(thian-2-yl)propan-1-amine
CID 80626885
3-ethyl-1-(thiolan-2-yl)heptan-1-amine
CID 80622703
4-(oxolan-2-yl)-1-(thian-2-yl)butan-1-amine
CID 80626361
5-methyl-N-propyl-1-(thian-2-yl)hexan-1-amine
CID 83161177
5-methyl-1-(4-propan-2-ylcyclohexyl)hexan-1-amine
CID 83161046
1-(thiolan-2-yl)but-3-en-1-amine
CID 80622584
(1S)-1-(thian-2-yl)ethanamine
CID 104932067

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(thiolan-2-yl)hexan-1-amine?
The IUPAC name of 5-methyl-1-(thiolan-2-yl)hexan-1-amine (CID 83160752) is 5-methyl-1-(thiolan-2-yl)hexan-1-amine.
What is the SMILES notation for 5-methyl-1-(thiolan-2-yl)hexan-1-amine?
The canonical SMILES for 5-methyl-1-(thiolan-2-yl)hexan-1-amine is CC(C)CCCC(N)C1CCCS1.
What is the InChIKey of 5-methyl-1-(thiolan-2-yl)hexan-1-amine?
The InChIKey is GJBYGJAAZJNLOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NS/c1-9(2)5-3-6-10(12)11-7-4-8-13-11/h9-11H,3-8,12H2,1-2H3.
What are the key properties of 5-methyl-1-(thiolan-2-yl)hexan-1-amine?
5-methyl-1-(thiolan-2-yl)hexan-1-amine has a molecular weight of 201.38 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(thiolan-2-yl)hexan-1-amine is sourced from PubChem (CID 83160752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).