(3-aminocyclobutyl)-(1-oxo-1,4-thiazinan-4-yl)methanone

C9H16N2O2S — CID 164653176

IUPAC(3-aminocyclobutyl)-(1-oxo-1,4-thiazinan-4-yl)methanone
SMILESNC1CC(C(=O)N2CCS(=O)CC2)C1
InChIInChI=1S/C9H16N2O2S/c10-8-5-7(6-8)9(12)11-1-3-14(13)4-2-11/h7-8H,1-6,10H2
InChIKeyXDPCXNQGDVBLQJ-UHFFFAOYSA-N
MW216.31 g/mol
LogP-0.69
Rot. Bonds1

About (3-aminocyclobutyl)-(1-oxo-1,4-thiazinan-4-yl)methanone

(3-aminocyclobutyl)-(1-oxo-1,4-thiazinan-4-yl)methanone (PubChem CID 164653176) has the molecular formula C9H16N2O2S and a molecular weight of 216.31 g/mol. Its IUPAC name is (3-aminocyclobutyl)-(1-oxo-1,4-thiazinan-4-yl)methanone.

Molecular Properties

Compound Name(3-aminocyclobutyl)-(1-oxo-1,4-thiazinan-4-yl)methanone
PubChem CID164653176
Molecular FormulaC9H16N2O2S
Molecular Weight216.31 g/mol
Exact Mass216.09
IUPAC Name(3-aminocyclobutyl)-(1-oxo-1,4-thiazinan-4-yl)methanone
SMILESNC1CC(C(=O)N2CCS(=O)CC2)C1
InChIInChI=1S/C9H16N2O2S/c10-8-5-7(6-8)9(12)11-1-3-14(13)4-2-11/h7-8H,1-6,10H2
InChIKeyXDPCXNQGDVBLQJ-UHFFFAOYSA-N
XLogP-0.69
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 5-0.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-aminocyclohexyl)-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 63046105
(3-aminocyclobutyl)-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 164660918
[(1S,3S)-3-aminocyclopentyl]-pyrrolidin-1-ylmethanone
CID 97030843
(3-aminocyclobutyl)-(3-methoxyazetidin-1-yl)methanone
CID 164660908
(3-aminocyclopentyl)-(azetidin-1-yl)methanone
CID 130546940
(3-aminocyclohexyl)-(azepan-1-yl)methanone
CID 62777003
2-(4-aminopiperidin-1-yl)-1-(1-oxo-1,4-thiazinan-4-yl)ethanone
CID 79328558
(3-aminocyclohexyl)-(azepan-1-yl)methanone;hydrochloride
CID 119669540
ethyl 4-(3-amino-5-methylcyclohexanecarbonyl)piperazine-1-carboxylate
CID 107877740
(3-aminocyclopentyl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 66032470
1-(3-aminocyclopentanecarbonyl)piperidine-4-carboxamide
CID 66030476
cis-(1S,2R)-2-(1-oxo-1,4-thiazinane-4-carbonyl)cyclohexane-1-carboxylic acid
CID 94243487

Frequently Asked Questions

What is the IUPAC name of (3-aminocyclobutyl)-(1-oxo-1,4-thiazinan-4-yl)methanone?
The IUPAC name of (3-aminocyclobutyl)-(1-oxo-1,4-thiazinan-4-yl)methanone (CID 164653176) is (3-aminocyclobutyl)-(1-oxo-1,4-thiazinan-4-yl)methanone.
What is the SMILES notation for (3-aminocyclobutyl)-(1-oxo-1,4-thiazinan-4-yl)methanone?
The canonical SMILES for (3-aminocyclobutyl)-(1-oxo-1,4-thiazinan-4-yl)methanone is NC1CC(C(=O)N2CCS(=O)CC2)C1.
What is the InChIKey of (3-aminocyclobutyl)-(1-oxo-1,4-thiazinan-4-yl)methanone?
The InChIKey is XDPCXNQGDVBLQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2S/c10-8-5-7(6-8)9(12)11-1-3-14(13)4-2-11/h7-8H,1-6,10H2.
What are the key properties of (3-aminocyclobutyl)-(1-oxo-1,4-thiazinan-4-yl)methanone?
(3-aminocyclobutyl)-(1-oxo-1,4-thiazinan-4-yl)methanone has a molecular weight of 216.31 g/mol, XLogP of -0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminocyclobutyl)-(1-oxo-1,4-thiazinan-4-yl)methanone is sourced from PubChem (CID 164653176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).