1-(oxolan-3-yl)-N-(thian-2-ylmethyl)methanamine

C11H21NOS — CID 80600576

IUPAC1-(oxolan-3-yl)-N-(thian-2-ylmethyl)methanamine
SMILESC1CCC(CNCC2CCOC2)SC1
InChIInChI=1S/C11H21NOS/c1-2-6-14-11(3-1)8-12-7-10-4-5-13-9-10/h10-12H,1-9H2
InChIKeyMFEAGIXSCZFKGL-UHFFFAOYSA-N
MW215.36 g/mol
LogP1.90
Rot. Bonds4

About 1-(oxolan-3-yl)-N-(thian-2-ylmethyl)methanamine

1-(oxolan-3-yl)-N-(thian-2-ylmethyl)methanamine (PubChem CID 80600576) has the molecular formula C11H21NOS and a molecular weight of 215.36 g/mol. Its IUPAC name is 1-(oxolan-3-yl)-N-(thian-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(oxolan-3-yl)-N-(thian-2-ylmethyl)methanamine
PubChem CID80600576
Molecular FormulaC11H21NOS
Molecular Weight215.36 g/mol
Exact Mass215.13
IUPAC Name1-(oxolan-3-yl)-N-(thian-2-ylmethyl)methanamine
SMILESC1CCC(CNCC2CCOC2)SC1
InChIInChI=1S/C11H21NOS/c1-2-6-14-11(3-1)8-12-7-10-4-5-13-9-10/h10-12H,1-9H2
InChIKeyMFEAGIXSCZFKGL-UHFFFAOYSA-N
XLogP1.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.36
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-N-(oxan-3-ylmethyl)methanamine
CID 61342622
1-[(3S)-oxan-3-yl]-N-[[(3S)-oxan-3-yl]methyl]methanamine
CID 129371205
2-(thian-2-ylmethylamino)ethanol
CID 80601199
N-(oxan-2-ylmethyl)-1-(oxolan-3-yl)methanamine
CID 61038711
2-methyl-N-(thian-2-ylmethyl)propan-1-amine
CID 80593621
N-(oxolan-3-ylmethyl)-1-piperidin-4-ylmethanamine
CID 62825418
3-cyclopentyl-N-(oxolan-3-ylmethyl)propan-1-amine
CID 115887250
N-(thian-2-ylmethyl)but-3-en-1-amine
CID 80600621
1-morpholin-4-yl-3-(thian-2-ylmethylamino)propan-2-ol
CID 80600493
2-cyclopentyl-2-methyl-N-(oxolan-3-ylmethyl)propan-1-amine
CID 115888052
N-methyl-1-(thian-2-yl)methanamine
CID 80593784
N-(oxolan-3-ylmethyl)cycloheptanamine
CID 43202465

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-3-yl)-N-(thian-2-ylmethyl)methanamine?
The IUPAC name of 1-(oxolan-3-yl)-N-(thian-2-ylmethyl)methanamine (CID 80600576) is 1-(oxolan-3-yl)-N-(thian-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(oxolan-3-yl)-N-(thian-2-ylmethyl)methanamine?
The canonical SMILES for 1-(oxolan-3-yl)-N-(thian-2-ylmethyl)methanamine is C1CCC(CNCC2CCOC2)SC1.
What is the InChIKey of 1-(oxolan-3-yl)-N-(thian-2-ylmethyl)methanamine?
The InChIKey is MFEAGIXSCZFKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NOS/c1-2-6-14-11(3-1)8-12-7-10-4-5-13-9-10/h10-12H,1-9H2.
What are the key properties of 1-(oxolan-3-yl)-N-(thian-2-ylmethyl)methanamine?
1-(oxolan-3-yl)-N-(thian-2-ylmethyl)methanamine has a molecular weight of 215.36 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-3-yl)-N-(thian-2-ylmethyl)methanamine is sourced from PubChem (CID 80600576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).