azepan-1-yl(thiomorpholin-4-yl)methanone

C11H20N2OS — CID 116654024

IUPACazepan-1-yl(thiomorpholin-4-yl)methanone
SMILESO=C(N1CCCCCC1)N1CCSCC1
InChIInChI=1S/C11H20N2OS/c14-11(13-7-9-15-10-8-13)12-5-3-1-2-4-6-12/h1-10H2
InChIKeyWMACGOOCBWRPKZ-UHFFFAOYSA-N
MW228.36 g/mol
LogP2.03
Rot. Bonds

About azepan-1-yl(thiomorpholin-4-yl)methanone

azepan-1-yl(thiomorpholin-4-yl)methanone (PubChem CID 116654024) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is azepan-1-yl(thiomorpholin-4-yl)methanone.

Molecular Properties

Compound Nameazepan-1-yl(thiomorpholin-4-yl)methanone
PubChem CID116654024
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Nameazepan-1-yl(thiomorpholin-4-yl)methanone
SMILESO=C(N1CCCCCC1)N1CCSCC1
InChIInChI=1S/C11H20N2OS/c14-11(13-7-9-15-10-8-13)12-5-3-1-2-4-6-12/h1-10H2
InChIKeyWMACGOOCBWRPKZ-UHFFFAOYSA-N
XLogP2.03
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cycloheptyl(thiomorpholin-4-yl)methanone
CID 71934333
cyclopropyl(1,4-thiazepan-4-yl)methanone
CID 60773784
2-[1-(1,4-thiazepane-4-carbonyl)azetidin-3-yl]acetic acid
CID 64616839
azepan-1-yl(thian-4-yl)methanone
CID 110856329
(2S)-1-(thiomorpholine-4-carbonyl)piperidine-2-carboxylic acid
CID 68756695
pyrrolidin-1-yl-[(1S,2S)-2-(1,4-thiazepane-4-carbonyl)cyclohexyl]methanone
CID 96526393
azocan-1-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 117068106
azepan-1-yl(piperazin-1-yl)methanone;hydrochloride
CID 2992287
1-(thiomorpholine-4-carbonyl)piperidine-2-carbaldehyde
CID 90846705
2-[1-(thiomorpholine-4-carbonyl)azetidin-3-yl]acetic acid
CID 64618608
1-(1,4-thiazepane-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 61423276
2-amino-1-(1,4-thiazepan-4-yl)ethanone
CID 61419104

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl(thiomorpholin-4-yl)methanone?
The IUPAC name of azepan-1-yl(thiomorpholin-4-yl)methanone (CID 116654024) is azepan-1-yl(thiomorpholin-4-yl)methanone.
What is the SMILES notation for azepan-1-yl(thiomorpholin-4-yl)methanone?
The canonical SMILES for azepan-1-yl(thiomorpholin-4-yl)methanone is O=C(N1CCCCCC1)N1CCSCC1.
What is the InChIKey of azepan-1-yl(thiomorpholin-4-yl)methanone?
The InChIKey is WMACGOOCBWRPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c14-11(13-7-9-15-10-8-13)12-5-3-1-2-4-6-12/h1-10H2.
What are the key properties of azepan-1-yl(thiomorpholin-4-yl)methanone?
azepan-1-yl(thiomorpholin-4-yl)methanone has a molecular weight of 228.36 g/mol, XLogP of 2.03, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl(thiomorpholin-4-yl)methanone is sourced from PubChem (CID 116654024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).