2,5-dimethyl-N-(thiolan-2-ylmethyl)oxolan-3-amine

C11H21NOS — CID 131081567

IUPAC2,5-dimethyl-N-(thiolan-2-ylmethyl)oxolan-3-amine
SMILESCC1CC(NCC2CCCS2)C(C)O1
InChIInChI=1S/C11H21NOS/c1-8-6-11(9(2)13-8)12-7-10-4-3-5-14-10/h8-12H,3-7H2,1-2H3
InChIKeyRJGTUIPPZFTFJA-UHFFFAOYSA-N
MW215.36 g/mol
LogP2.04
Rot. Bonds3

About 2,5-dimethyl-N-(thiolan-2-ylmethyl)oxolan-3-amine

2,5-dimethyl-N-(thiolan-2-ylmethyl)oxolan-3-amine (PubChem CID 131081567) has the molecular formula C11H21NOS and a molecular weight of 215.36 g/mol. Its IUPAC name is 2,5-dimethyl-N-(thiolan-2-ylmethyl)oxolan-3-amine.

Molecular Properties

Compound Name2,5-dimethyl-N-(thiolan-2-ylmethyl)oxolan-3-amine
PubChem CID131081567
Molecular FormulaC11H21NOS
Molecular Weight215.36 g/mol
Exact Mass215.13
IUPAC Name2,5-dimethyl-N-(thiolan-2-ylmethyl)oxolan-3-amine
SMILESCC1CC(NCC2CCCS2)C(C)O1
InChIInChI=1S/C11H21NOS/c1-8-6-11(9(2)13-8)12-7-10-4-3-5-14-10/h8-12H,3-7H2,1-2H3
InChIKeyRJGTUIPPZFTFJA-UHFFFAOYSA-N
XLogP2.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.36
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-(thian-2-ylmethyl)thiolan-3-amine
CID 102672978
2,2-dimethyl-N-(thiolan-2-ylmethyl)-1,3-dioxan-5-amine
CID 106658875
4-methyl-3-(thiolan-2-ylmethylamino)oxolan-2-one
CID 130618861
trans-(1R,2R)-2-(thian-2-ylmethylamino)cyclopentan-1-ol
CID 102733755
2-propan-2-yl-N-(thiolan-2-ylmethyl)oxan-4-amine
CID 80584057
N-(thian-2-ylmethyl)cyclobutanamine
CID 80599941
4-tert-butyl-N-(thiolan-2-ylmethyl)cyclohexan-1-amine
CID 80584221
4-propan-2-yl-N-(thiolan-2-ylmethyl)cycloheptan-1-amine
CID 80585023
(3R,4R)-4-(thian-2-ylmethylamino)pyrrolidin-3-ol
CID 130891380
4,4-dimethyl-N-(thiolan-2-ylmethyl)cycloheptan-1-amine
CID 80583942
N-methyl-1-(thian-2-yl)methanamine
CID 80593784
N-(thian-2-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 80596482

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(thiolan-2-ylmethyl)oxolan-3-amine?
The IUPAC name of 2,5-dimethyl-N-(thiolan-2-ylmethyl)oxolan-3-amine (CID 131081567) is 2,5-dimethyl-N-(thiolan-2-ylmethyl)oxolan-3-amine.
What is the SMILES notation for 2,5-dimethyl-N-(thiolan-2-ylmethyl)oxolan-3-amine?
The canonical SMILES for 2,5-dimethyl-N-(thiolan-2-ylmethyl)oxolan-3-amine is CC1CC(NCC2CCCS2)C(C)O1.
What is the InChIKey of 2,5-dimethyl-N-(thiolan-2-ylmethyl)oxolan-3-amine?
The InChIKey is RJGTUIPPZFTFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NOS/c1-8-6-11(9(2)13-8)12-7-10-4-3-5-14-10/h8-12H,3-7H2,1-2H3.
What are the key properties of 2,5-dimethyl-N-(thiolan-2-ylmethyl)oxolan-3-amine?
2,5-dimethyl-N-(thiolan-2-ylmethyl)oxolan-3-amine has a molecular weight of 215.36 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(thiolan-2-ylmethyl)oxolan-3-amine is sourced from PubChem (CID 131081567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).