N-(1,1-dioxothian-3-yl)-2-(methylamino)propanamide

C9H18N2O3S — CID 63924115

IUPACN-(1,1-dioxothian-3-yl)-2-(methylamino)propanamide
SMILESCNC(C)C(=O)NC1CCCS(=O)(=O)C1
InChIInChI=1S/C9H18N2O3S/c1-7(10-2)9(12)11-8-4-3-5-15(13,14)6-8/h7-8,10H,3-6H2,1-2H3,(H,11,12)
InChIKeyMAFSDNZTJNIONK-UHFFFAOYSA-N
MW234.32 g/mol
LogP-0.71
Rot. Bonds3

About N-(1,1-dioxothian-3-yl)-2-(methylamino)propanamide

N-(1,1-dioxothian-3-yl)-2-(methylamino)propanamide (PubChem CID 63924115) has the molecular formula C9H18N2O3S and a molecular weight of 234.32 g/mol. Its IUPAC name is N-(1,1-dioxothian-3-yl)-2-(methylamino)propanamide.

Molecular Properties

Compound NameN-(1,1-dioxothian-3-yl)-2-(methylamino)propanamide
PubChem CID63924115
Molecular FormulaC9H18N2O3S
Molecular Weight234.32 g/mol
Exact Mass234.10
IUPAC NameN-(1,1-dioxothian-3-yl)-2-(methylamino)propanamide
SMILESCNC(C)C(=O)NC1CCCS(=O)(=O)C1
InChIInChI=1S/C9H18N2O3S/c1-7(10-2)9(12)11-8-4-3-5-15(13,14)6-8/h7-8,10H,3-6H2,1-2H3,(H,11,12)
InChIKeyMAFSDNZTJNIONK-UHFFFAOYSA-N
XLogP-0.71
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-[(1,1-dioxothian-3-yl)amino]propanamide
CID 63921950
N-cyclopentyl-2-(methylamino)propanamide
CID 43083499
(2S)-N-cyclopentyl-2-(methylamino)propanamide
CID 28827015
(2S)-N-cyclobutyl-2-(methylamino)propanamide
CID 90052671
2-amino-N-(1,1-dioxothian-3-yl)-3,3-dimethylbutanamide
CID 77013077
2-[(1,1-dioxothian-3-yl)amino]-N-(methylcarbamoyl)propanamide
CID 63923344
1-cyclobutyl-3-(1,1-dioxothian-3-yl)urea
CID 104600925
(2R)-N-[(3S)-1,1-dioxothian-3-yl]-3-methyl-2-piperidin-1-ylbutanamide
CID 96547556
(3R)-1,1-dioxo-N-propan-2-ylthian-3-amine
CID 176810874
(2R)-2-amino-N-(1,1-dioxothian-3-yl)pentanamide
CID 103796806
N-(1,1-dioxothian-3-yl)-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide
CID 77013110
N-(1,1-dioxothian-3-yl)-2-piperazin-1-ylpropanamide
CID 63924147

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothian-3-yl)-2-(methylamino)propanamide?
The IUPAC name of N-(1,1-dioxothian-3-yl)-2-(methylamino)propanamide (CID 63924115) is N-(1,1-dioxothian-3-yl)-2-(methylamino)propanamide.
What is the SMILES notation for N-(1,1-dioxothian-3-yl)-2-(methylamino)propanamide?
The canonical SMILES for N-(1,1-dioxothian-3-yl)-2-(methylamino)propanamide is CNC(C)C(=O)NC1CCCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothian-3-yl)-2-(methylamino)propanamide?
The InChIKey is MAFSDNZTJNIONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3S/c1-7(10-2)9(12)11-8-4-3-5-15(13,14)6-8/h7-8,10H,3-6H2,1-2H3,(H,11,12).
What are the key properties of N-(1,1-dioxothian-3-yl)-2-(methylamino)propanamide?
N-(1,1-dioxothian-3-yl)-2-(methylamino)propanamide has a molecular weight of 234.32 g/mol, XLogP of -0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothian-3-yl)-2-(methylamino)propanamide is sourced from PubChem (CID 63924115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).