2-methyl-N-(thian-3-yl)oxan-4-amine

C11H21NOS — CID 115898568

IUPAC2-methyl-N-(thian-3-yl)oxan-4-amine
SMILESCC1CC(NC2CCCSC2)CCO1
InChIInChI=1S/C11H21NOS/c1-9-7-10(4-5-13-9)12-11-3-2-6-14-8-11/h9-12H,2-8H2,1H3
InChIKeyCTENPDWDIALWSG-UHFFFAOYSA-N
MW215.36 g/mol
LogP2.04
Rot. Bonds2

About 2-methyl-N-(thian-3-yl)oxan-4-amine

2-methyl-N-(thian-3-yl)oxan-4-amine (PubChem CID 115898568) has the molecular formula C11H21NOS and a molecular weight of 215.36 g/mol. Its IUPAC name is 2-methyl-N-(thian-3-yl)oxan-4-amine.

Molecular Properties

Compound Name2-methyl-N-(thian-3-yl)oxan-4-amine
PubChem CID115898568
Molecular FormulaC11H21NOS
Molecular Weight215.36 g/mol
Exact Mass215.13
IUPAC Name2-methyl-N-(thian-3-yl)oxan-4-amine
SMILESCC1CC(NC2CCCSC2)CCO1
InChIInChI=1S/C11H21NOS/c1-9-7-10(4-5-13-9)12-11-3-2-6-14-8-11/h9-12H,2-8H2,1H3
InChIKeyCTENPDWDIALWSG-UHFFFAOYSA-N
XLogP2.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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-(4-methylcycloheptyl)oxan-4-amine
CID 102795084
2-methyl-N-(3-propan-2-ylcyclohexyl)oxan-4-amine
CID 103910632
3-[(2-methyloxan-4-yl)amino]cyclohexane-1-carboxylic acid
CID 65066194
N-(3-bicyclo[3.1.0]hexanyl)thian-3-amine
CID 131057670
N-(3-methylcyclohexyl)thiolan-3-amine
CID 43317743
N-(2,3-dimethylcyclobutyl)thian-3-amine
CID 130621412
N-(thian-3-yl)-1-oxaspiro[5.5]undecan-4-amine
CID 86811515
N-[(1S,2R)-2-fluorocyclopentyl]-2-methyloxan-4-amine
CID 130702555
N-methylthian-3-amine;hydrochloride
CID 86811695
2-methyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)oxan-4-amine
CID 154746055
N-(1,1-dioxothietan-3-yl)thian-3-amine
CID 115032985
(3R)-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]thian-3-amine
CID 94885711

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(thian-3-yl)oxan-4-amine?
The IUPAC name of 2-methyl-N-(thian-3-yl)oxan-4-amine (CID 115898568) is 2-methyl-N-(thian-3-yl)oxan-4-amine.
What is the SMILES notation for 2-methyl-N-(thian-3-yl)oxan-4-amine?
The canonical SMILES for 2-methyl-N-(thian-3-yl)oxan-4-amine is CC1CC(NC2CCCSC2)CCO1.
What is the InChIKey of 2-methyl-N-(thian-3-yl)oxan-4-amine?
The InChIKey is CTENPDWDIALWSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NOS/c1-9-7-10(4-5-13-9)12-11-3-2-6-14-8-11/h9-12H,2-8H2,1H3.
What are the key properties of 2-methyl-N-(thian-3-yl)oxan-4-amine?
2-methyl-N-(thian-3-yl)oxan-4-amine has a molecular weight of 215.36 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(thian-3-yl)oxan-4-amine is sourced from PubChem (CID 115898568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).