2-propan-2-yl-N-(thian-4-yl)oxan-4-amine

C13H25NOS — CID 115888210

IUPAC2-propan-2-yl-N-(thian-4-yl)oxan-4-amine
SMILESCC(C)C1CC(NC2CCSCC2)CCO1
InChIInChI=1S/C13H25NOS/c1-10(2)13-9-12(3-6-15-13)14-11-4-7-16-8-5-11/h10-14H,3-9H2,1-2H3
InChIKeyLAUVHYGXPMINSP-UHFFFAOYSA-N
MW243.42 g/mol
LogP2.68
Rot. Bonds3

About 2-propan-2-yl-N-(thian-4-yl)oxan-4-amine

2-propan-2-yl-N-(thian-4-yl)oxan-4-amine (PubChem CID 115888210) has the molecular formula C13H25NOS and a molecular weight of 243.42 g/mol. Its IUPAC name is 2-propan-2-yl-N-(thian-4-yl)oxan-4-amine.

Molecular Properties

Compound Name2-propan-2-yl-N-(thian-4-yl)oxan-4-amine
PubChem CID115888210
Molecular FormulaC13H25NOS
Molecular Weight243.42 g/mol
Exact Mass243.17
IUPAC Name2-propan-2-yl-N-(thian-4-yl)oxan-4-amine
SMILESCC(C)C1CC(NC2CCSCC2)CCO1
InChIInChI=1S/C13H25NOS/c1-10(2)13-9-12(3-6-15-13)14-11-4-7-16-8-5-11/h10-14H,3-9H2,1-2H3
InChIKeyLAUVHYGXPMINSP-UHFFFAOYSA-N
XLogP2.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.42
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4,4,4-trifluorobutan-2-yl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 103904027
2-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]oxan-4-amine
CID 103930669
2,3-Di(propan-2-yl)oxane;2,3-di(propan-2-yl)piperidine;2,3-di(propan-2-yl)thiane;ethane
CID 159215196
Propane;2-propan-2-yloxane;2-propan-2-ylpiperidine;2-propan-2-ylthiane
CID 161205550
4-methyl-N-[2-(oxan-4-ylsulfanyl)ethyl]cyclohexan-1-amine
CID 55141506
5-methyl-N-[2-(oxan-4-ylsulfanyl)ethyl]hexan-2-amine
CID 62989458
2-methyl-N-[2-(oxan-4-ylsulfanyl)ethyl]cyclohexan-1-amine
CID 62990892
3-methyl-N-[2-(oxan-4-ylsulfanyl)ethyl]cyclohexan-1-amine
CID 62991793
N-(1,1-dioxothian-4-yl)-2-propan-2-yloxan-4-amine
CID 64098428
N-(3-methylsulfonylpropyl)-2-propan-2-yloxan-4-amine
CID 64100623
N-(2-methylsulfonylethyl)-2-propan-2-yloxan-4-amine
CID 64101389
N-[(1,1-dioxothiolan-3-yl)methyl]-2-propan-2-yloxan-4-amine
CID 64101425

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-N-(thian-4-yl)oxan-4-amine?
The IUPAC name of 2-propan-2-yl-N-(thian-4-yl)oxan-4-amine (CID 115888210) is 2-propan-2-yl-N-(thian-4-yl)oxan-4-amine.
What is the SMILES notation for 2-propan-2-yl-N-(thian-4-yl)oxan-4-amine?
The canonical SMILES for 2-propan-2-yl-N-(thian-4-yl)oxan-4-amine is CC(C)C1CC(NC2CCSCC2)CCO1.
What is the InChIKey of 2-propan-2-yl-N-(thian-4-yl)oxan-4-amine?
The InChIKey is LAUVHYGXPMINSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NOS/c1-10(2)13-9-12(3-6-15-13)14-11-4-7-16-8-5-11/h10-14H,3-9H2,1-2H3.
What are the key properties of 2-propan-2-yl-N-(thian-4-yl)oxan-4-amine?
2-propan-2-yl-N-(thian-4-yl)oxan-4-amine has a molecular weight of 243.42 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-N-(thian-4-yl)oxan-4-amine is sourced from PubChem (CID 115888210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).