N-(3-aminopropyl)-3-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylpropanamide

C11H23N3O3S — CID 43581216

IUPACN-(3-aminopropyl)-3-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylpropanamide
SMILESCN(CCCN)C(=O)CCN1CCS(=O)(=O)CC1
InChIInChI=1S/C11H23N3O3S/c1-13(5-2-4-12)11(15)3-6-14-7-9-18(16,17)10-8-14/h2-10,12H2,1H3
InChIKeyCGNQPTCDUBHWNM-UHFFFAOYSA-N
MW277.39 g/mol
LogP-1.09
Rot. Bonds6

About N-(3-aminopropyl)-3-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylpropanamide

N-(3-aminopropyl)-3-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylpropanamide (PubChem CID 43581216) has the molecular formula C11H23N3O3S and a molecular weight of 277.39 g/mol. Its IUPAC name is N-(3-aminopropyl)-3-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylpropanamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-3-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylpropanamide
PubChem CID43581216
Molecular FormulaC11H23N3O3S
Molecular Weight277.39 g/mol
Exact Mass277.15
IUPAC NameN-(3-aminopropyl)-3-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylpropanamide
SMILESCN(CCCN)C(=O)CCN1CCS(=O)(=O)CC1
InChIInChI=1S/C11H23N3O3S/c1-13(5-2-4-12)11(15)3-6-14-7-9-18(16,17)10-8-14/h2-10,12H2,1H3
InChIKeyCGNQPTCDUBHWNM-UHFFFAOYSA-N
XLogP-1.09
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 5-1.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-aminopropyl)-3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-methylpropanamide
CID 62884866
4-amino-N-methyl-N-(2-pyrrolidin-1-ylethyl)butanamide
CID 63207232
N-methyl-N-[6-[methyl(3-piperidin-1-ylpropanoyl)amino]hexyl]-3-piperidin-1-ylpropanamide
CID 10477358
7-amino-N-methyl-N-(2-pyrrolidin-1-ylethyl)heptanamide
CID 63207884
N-(3-aminopropyl)-3-[3-(diethylamino)pyrrolidin-1-yl]-N-methylpropanamide
CID 63172162
N-butyl-3-(4-ethylpiperazin-1-yl)-N-methylpropanamide
CID 109017680
N-(3-aminopropyl)-N-methyl-3-(3-oxo-1,4-diazepan-1-yl)propanamide
CID 65361622
N-(3-aminopropyl)-3-(2,4-dimethylpiperidin-1-yl)-N-methylpropanamide
CID 62329775
N-(3-aminopropyl)-N-methyl-3-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)propanamide
CID 82855691
1-[3-[3-aminopropyl(methyl)amino]-3-oxopropyl]-N-methylpiperidine-3-carboxamide
CID 103194926
N-(3-aminopropyl)-2-(azepan-1-yl)-N-methylacetamide
CID 43253394
N-(3-aminopropyl)-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-N-methylacetamide
CID 107214181

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-3-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylpropanamide?
The IUPAC name of N-(3-aminopropyl)-3-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylpropanamide (CID 43581216) is N-(3-aminopropyl)-3-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylpropanamide.
What is the SMILES notation for N-(3-aminopropyl)-3-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylpropanamide?
The canonical SMILES for N-(3-aminopropyl)-3-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylpropanamide is CN(CCCN)C(=O)CCN1CCS(=O)(=O)CC1.
What is the InChIKey of N-(3-aminopropyl)-3-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylpropanamide?
The InChIKey is CGNQPTCDUBHWNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3S/c1-13(5-2-4-12)11(15)3-6-14-7-9-18(16,17)10-8-14/h2-10,12H2,1H3.
What are the key properties of N-(3-aminopropyl)-3-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylpropanamide?
N-(3-aminopropyl)-3-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylpropanamide has a molecular weight of 277.39 g/mol, XLogP of -1.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-3-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylpropanamide is sourced from PubChem (CID 43581216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).