2-methyl-N-(oxan-2-ylmethyl)thian-3-amine

C12H23NOS — CID 79956591

IUPAC2-methyl-N-(oxan-2-ylmethyl)thian-3-amine
SMILESCC1SCCCC1NCC1CCCCO1
InChIInChI=1S/C12H23NOS/c1-10-12(6-4-8-15-10)13-9-11-5-2-3-7-14-11/h10-13H,2-9H2,1H3
InChIKeyHASMJAVGBQKYKH-UHFFFAOYSA-N
MW229.39 g/mol
LogP2.43
Rot. Bonds3

About 2-methyl-N-(oxan-2-ylmethyl)thian-3-amine

2-methyl-N-(oxan-2-ylmethyl)thian-3-amine (PubChem CID 79956591) has the molecular formula C12H23NOS and a molecular weight of 229.39 g/mol. Its IUPAC name is 2-methyl-N-(oxan-2-ylmethyl)thian-3-amine.

Molecular Properties

Compound Name2-methyl-N-(oxan-2-ylmethyl)thian-3-amine
PubChem CID79956591
Molecular FormulaC12H23NOS
Molecular Weight229.39 g/mol
Exact Mass229.15
IUPAC Name2-methyl-N-(oxan-2-ylmethyl)thian-3-amine
SMILESCC1SCCCC1NCC1CCCCO1
InChIInChI=1S/C12H23NOS/c1-10-12(6-4-8-15-10)13-9-11-5-2-3-7-14-11/h10-13H,2-9H2,1H3
InChIKeyHASMJAVGBQKYKH-UHFFFAOYSA-N
XLogP2.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.39
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[2-(oxolan-2-yl)ethyl]thian-3-amine
CID 79957673
2-methyl-N-(oxan-2-ylmethyl)cyclopentan-1-amine
CID 63278391
2,5-dimethyl-N-(oxan-2-ylmethyl)cyclohexan-1-amine
CID 64761101
(2R,3R)-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]oxolan-3-amine
CID 97358136
[2-(oxan-2-ylmethylamino)cyclopentyl]methanol
CID 106360917
cis-(1R,2R)-2-ethyl-N-[[(2R)-oxolan-2-yl]methyl]cyclohexan-1-amine
CID 124710143
2-methoxy-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
CID 43765488
3,5-dimethyl-N-(oxan-2-ylmethyl)cyclohexan-1-amine
CID 64751038
2,3-dimethyl-N-(oxolan-2-ylmethyl)cyclopentan-1-amine
CID 64908944
N-[(5-methyloxolan-2-yl)methyl]-1-(oxan-2-yl)methanamine
CID 82835456
2-methyl-N-[(1-methylpiperidin-2-yl)methyl]thian-3-amine
CID 79957320
2-methyl-N-(thian-2-ylmethyl)thiolan-3-amine
CID 102672978

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(oxan-2-ylmethyl)thian-3-amine?
The IUPAC name of 2-methyl-N-(oxan-2-ylmethyl)thian-3-amine (CID 79956591) is 2-methyl-N-(oxan-2-ylmethyl)thian-3-amine.
What is the SMILES notation for 2-methyl-N-(oxan-2-ylmethyl)thian-3-amine?
The canonical SMILES for 2-methyl-N-(oxan-2-ylmethyl)thian-3-amine is CC1SCCCC1NCC1CCCCO1.
What is the InChIKey of 2-methyl-N-(oxan-2-ylmethyl)thian-3-amine?
The InChIKey is HASMJAVGBQKYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NOS/c1-10-12(6-4-8-15-10)13-9-11-5-2-3-7-14-11/h10-13H,2-9H2,1H3.
What are the key properties of 2-methyl-N-(oxan-2-ylmethyl)thian-3-amine?
2-methyl-N-(oxan-2-ylmethyl)thian-3-amine has a molecular weight of 229.39 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(oxan-2-ylmethyl)thian-3-amine is sourced from PubChem (CID 79956591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).