N,2,2,5,5-pentamethyl-4-(1,4-thiazepan-4-ylmethyl)oxolan-3-amine

C15H30N2OS — CID 79933879

IUPACN,2,2,5,5-pentamethyl-4-(1,4-thiazepan-4-ylmethyl)oxolan-3-amine
SMILESCNC1C(CN2CCCSCC2)C(C)(C)OC1(C)C
InChIInChI=1S/C15H30N2OS/c1-14(2)12(13(16-5)15(3,4)18-14)11-17-7-6-9-19-10-8-17/h12-13,16H,6-11H2,1-5H3
InChIKeyDZOULWWLJZVEKU-UHFFFAOYSA-N
MW286.49 g/mol
LogP2.22
Rot. Bonds3

About N,2,2,5,5-pentamethyl-4-(1,4-thiazepan-4-ylmethyl)oxolan-3-amine

N,2,2,5,5-pentamethyl-4-(1,4-thiazepan-4-ylmethyl)oxolan-3-amine (PubChem CID 79933879) has the molecular formula C15H30N2OS and a molecular weight of 286.49 g/mol. Its IUPAC name is N,2,2,5,5-pentamethyl-4-(1,4-thiazepan-4-ylmethyl)oxolan-3-amine.

Molecular Properties

Compound NameN,2,2,5,5-pentamethyl-4-(1,4-thiazepan-4-ylmethyl)oxolan-3-amine
PubChem CID79933879
Molecular FormulaC15H30N2OS
Molecular Weight286.49 g/mol
Exact Mass286.21
IUPAC NameN,2,2,5,5-pentamethyl-4-(1,4-thiazepan-4-ylmethyl)oxolan-3-amine
SMILESCNC1C(CN2CCCSCC2)C(C)(C)OC1(C)C
InChIInChI=1S/C15H30N2OS/c1-14(2)12(13(16-5)15(3,4)18-14)11-17-7-6-9-19-10-8-17/h12-13,16H,6-11H2,1-5H3
InChIKeyDZOULWWLJZVEKU-UHFFFAOYSA-N
XLogP2.22
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.49
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[2,2,5,5-tetramethyl-4-(methylamino)oxolan-3-yl]methyl]pyrrolidin-3-ol
CID 79933882
1-[1-[[2,2,5,5-tetramethyl-4-(methylamino)oxolan-3-yl]methyl]pyrrolidin-3-yl]ethanol
CID 115967284
4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-N,2,2,5,5-pentamethyloxolan-3-amine
CID 82751941
N-methyl-4-(1,4-thiazepan-4-ylmethyl)oxolan-3-amine
CID 66245775
2,2,5,5-tetramethyl-4-(1,4-oxazepan-4-ylmethyl)-N-propyloxolan-3-amine
CID 79914148
2,2-dimethyl-N-propyl-5-(1,4-thiazepan-4-ylmethyl)cyclopentan-1-amine
CID 79855942
4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-N,2,2,5,5-pentamethyloxolan-3-amine
CID 79912796
1-[[4-(ethylamino)-2,2,5,5-tetramethyloxolan-3-yl]methyl]piperidin-3-ol
CID 79933676
1-[[4-(ethylamino)-2,2,5,5-tetramethyloxolan-3-yl]methyl]-4-methylpiperidin-4-ol
CID 81097682
N,2,2,5,5-pentamethyl-4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-3-amine
CID 102886586
2,2,5,5-tetramethyl-4-[(4-methylpiperidin-1-yl)methyl]-N-propyloxolan-3-amine
CID 79913080
2,2,5,5-tetramethyl-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]-N-propyloxolan-3-amine
CID 79912448

Frequently Asked Questions

What is the IUPAC name of N,2,2,5,5-pentamethyl-4-(1,4-thiazepan-4-ylmethyl)oxolan-3-amine?
The IUPAC name of N,2,2,5,5-pentamethyl-4-(1,4-thiazepan-4-ylmethyl)oxolan-3-amine (CID 79933879) is N,2,2,5,5-pentamethyl-4-(1,4-thiazepan-4-ylmethyl)oxolan-3-amine.
What is the SMILES notation for N,2,2,5,5-pentamethyl-4-(1,4-thiazepan-4-ylmethyl)oxolan-3-amine?
The canonical SMILES for N,2,2,5,5-pentamethyl-4-(1,4-thiazepan-4-ylmethyl)oxolan-3-amine is CNC1C(CN2CCCSCC2)C(C)(C)OC1(C)C.
What is the InChIKey of N,2,2,5,5-pentamethyl-4-(1,4-thiazepan-4-ylmethyl)oxolan-3-amine?
The InChIKey is DZOULWWLJZVEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2OS/c1-14(2)12(13(16-5)15(3,4)18-14)11-17-7-6-9-19-10-8-17/h12-13,16H,6-11H2,1-5H3.
What are the key properties of N,2,2,5,5-pentamethyl-4-(1,4-thiazepan-4-ylmethyl)oxolan-3-amine?
N,2,2,5,5-pentamethyl-4-(1,4-thiazepan-4-ylmethyl)oxolan-3-amine has a molecular weight of 286.49 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2,5,5-pentamethyl-4-(1,4-thiazepan-4-ylmethyl)oxolan-3-amine is sourced from PubChem (CID 79933879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).