(2-methylazepan-1-yl)-thiomorpholin-3-ylmethanone

C12H22N2OS — CID 82916755

IUPAC(2-methylazepan-1-yl)-thiomorpholin-3-ylmethanone
SMILESCC1CCCCCN1C(=O)C1CSCCN1
InChIInChI=1S/C12H22N2OS/c1-10-5-3-2-4-7-14(10)12(15)11-9-16-8-6-13-11/h10-11,13H,2-9H2,1H3
InChIKeySWDBYMFYBMOCKP-UHFFFAOYSA-N
MW242.39 g/mol
LogP1.48
Rot. Bonds1

About (2-methylazepan-1-yl)-thiomorpholin-3-ylmethanone

(2-methylazepan-1-yl)-thiomorpholin-3-ylmethanone (PubChem CID 82916755) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is (2-methylazepan-1-yl)-thiomorpholin-3-ylmethanone.

Molecular Properties

Compound Name(2-methylazepan-1-yl)-thiomorpholin-3-ylmethanone
PubChem CID82916755
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC Name(2-methylazepan-1-yl)-thiomorpholin-3-ylmethanone
SMILESCC1CCCCCN1C(=O)C1CSCCN1
InChIInChI=1S/C12H22N2OS/c1-10-5-3-2-4-7-14(10)12(15)11-9-16-8-6-13-11/h10-11,13H,2-9H2,1H3
InChIKeySWDBYMFYBMOCKP-UHFFFAOYSA-N
XLogP1.48
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-azepan-2-yl]-[(2R)-2-methylpiperidin-1-yl]methanone
CID 124507947
(2,5-dimethylpiperidin-1-yl)-thiomorpholin-3-ylmethanone
CID 82917114
(2-methylpyrrolidin-1-yl)-[(2S)-piperidin-2-yl]methanone
CID 90464822
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl(thiomorpholin-3-yl)methanone
CID 82916769
[(2R)-2-methylpiperidin-1-yl]-[(3S)-morpholin-3-yl]methanone
CID 96998627
[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-thiomorpholin-3-ylmethanone
CID 82908167
cycloheptyl(thiomorpholin-3-yl)methanone
CID 116609701
N-cyclopropyl-1-(thiomorpholine-3-carbonyl)pyrrolidine-2-carboxamide
CID 82908203
[2-(2-methylphenyl)pyrrolidin-1-yl]-thiomorpholin-3-ylmethanone
CID 82908300
1-(thiomorpholine-3-carbonyl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 103195325
(2-methylpiperidin-1-yl)-[(3R)-piperidin-3-yl]methanone
CID 81123466
N-ethyl-1-(thiomorpholine-3-carbonyl)piperidine-4-carboxamide
CID 82909327

Frequently Asked Questions

What is the IUPAC name of (2-methylazepan-1-yl)-thiomorpholin-3-ylmethanone?
The IUPAC name of (2-methylazepan-1-yl)-thiomorpholin-3-ylmethanone (CID 82916755) is (2-methylazepan-1-yl)-thiomorpholin-3-ylmethanone.
What is the SMILES notation for (2-methylazepan-1-yl)-thiomorpholin-3-ylmethanone?
The canonical SMILES for (2-methylazepan-1-yl)-thiomorpholin-3-ylmethanone is CC1CCCCCN1C(=O)C1CSCCN1.
What is the InChIKey of (2-methylazepan-1-yl)-thiomorpholin-3-ylmethanone?
The InChIKey is SWDBYMFYBMOCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-10-5-3-2-4-7-14(10)12(15)11-9-16-8-6-13-11/h10-11,13H,2-9H2,1H3.
What are the key properties of (2-methylazepan-1-yl)-thiomorpholin-3-ylmethanone?
(2-methylazepan-1-yl)-thiomorpholin-3-ylmethanone has a molecular weight of 242.39 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylazepan-1-yl)-thiomorpholin-3-ylmethanone is sourced from PubChem (CID 82916755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).