2,2,5,5-tetramethyl-N-(3-methylsulfanylbutyl)oxolan-3-amine

C13H27NOS — CID 115716195

IUPAC2,2,5,5-tetramethyl-N-(3-methylsulfanylbutyl)oxolan-3-amine
SMILESCSC(C)CCNC1CC(C)(C)OC1(C)C
InChIInChI=1S/C13H27NOS/c1-10(16-6)7-8-14-11-9-12(2,3)15-13(11,4)5/h10-11,14H,7-9H2,1-6H3
InChIKeyMVIWYTFGDJFPKW-UHFFFAOYSA-N
MW245.43 g/mol
LogP3.06
Rot. Bonds5

About 2,2,5,5-tetramethyl-N-(3-methylsulfanylbutyl)oxolan-3-amine

2,2,5,5-tetramethyl-N-(3-methylsulfanylbutyl)oxolan-3-amine (PubChem CID 115716195) has the molecular formula C13H27NOS and a molecular weight of 245.43 g/mol. Its IUPAC name is 2,2,5,5-tetramethyl-N-(3-methylsulfanylbutyl)oxolan-3-amine.

Molecular Properties

Compound Name2,2,5,5-tetramethyl-N-(3-methylsulfanylbutyl)oxolan-3-amine
PubChem CID115716195
Molecular FormulaC13H27NOS
Molecular Weight245.43 g/mol
Exact Mass245.18
IUPAC Name2,2,5,5-tetramethyl-N-(3-methylsulfanylbutyl)oxolan-3-amine
SMILESCSC(C)CCNC1CC(C)(C)OC1(C)C
InChIInChI=1S/C13H27NOS/c1-10(16-6)7-8-14-11-9-12(2,3)15-13(11,4)5/h10-11,14H,7-9H2,1-6H3
InChIKeyMVIWYTFGDJFPKW-UHFFFAOYSA-N
XLogP3.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.43
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,5,5-tetramethyl-N-(2-methyl-3-methylsulfonylpropyl)oxolan-3-amine
CID 86803384
2,2,5,5-tetramethyl-N-[2-(trifluoromethylsulfanyl)ethyl]oxolan-3-amine
CID 113260356
2,2,5,5-tetramethyl-N-propyloxolan-3-amine
CID 75356337
2,2,5,5-tetramethyl-N-(propan-2-yl)oxolan-3-amine
CID 75356338
N-(butan-2-yl)-2,2,5,5-tetramethyloxolan-3-amine
CID 75356340
2,2,5,5-Tetramethyl-N-(pentan-3-yl)oxolan-3-amine
CID 75356343
N-Butyl-2,2,5,5-tetramethyloxolan-3-amine
CID 75356347
2,2,5,5-tetramethyl-N-(2-methylsulfanylpropyl)oxolan-3-amine
CID 75483009
2,2,5,5-tetramethyl-N-[(4-methylsulfanyloxan-4-yl)methyl]oxolan-3-amine
CID 75515369
2,2,5,5-tetramethyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]oxolan-3-amine
CID 75515384
N-ethyl-2,2,5,5-tetramethyloxolan-3-amine
CID 79915892
2,2,5,5-tetramethyl-N-pentan-2-yloxolan-3-amine
CID 79917041

Frequently Asked Questions

What is the IUPAC name of 2,2,5,5-tetramethyl-N-(3-methylsulfanylbutyl)oxolan-3-amine?
The IUPAC name of 2,2,5,5-tetramethyl-N-(3-methylsulfanylbutyl)oxolan-3-amine (CID 115716195) is 2,2,5,5-tetramethyl-N-(3-methylsulfanylbutyl)oxolan-3-amine.
What is the SMILES notation for 2,2,5,5-tetramethyl-N-(3-methylsulfanylbutyl)oxolan-3-amine?
The canonical SMILES for 2,2,5,5-tetramethyl-N-(3-methylsulfanylbutyl)oxolan-3-amine is CSC(C)CCNC1CC(C)(C)OC1(C)C.
What is the InChIKey of 2,2,5,5-tetramethyl-N-(3-methylsulfanylbutyl)oxolan-3-amine?
The InChIKey is MVIWYTFGDJFPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NOS/c1-10(16-6)7-8-14-11-9-12(2,3)15-13(11,4)5/h10-11,14H,7-9H2,1-6H3.
What are the key properties of 2,2,5,5-tetramethyl-N-(3-methylsulfanylbutyl)oxolan-3-amine?
2,2,5,5-tetramethyl-N-(3-methylsulfanylbutyl)oxolan-3-amine has a molecular weight of 245.43 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,5-tetramethyl-N-(3-methylsulfanylbutyl)oxolan-3-amine is sourced from PubChem (CID 115716195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).