N,N-dimethyl-2-[[2-[methyl-(1-oxothian-4-yl)amino]acetyl]amino]propanamide

C13H25N3O3S — CID 75423651

IUPACN,N-dimethyl-2-[[2-[methyl-(1-oxothian-4-yl)amino]acetyl]amino]propanamide
SMILESCC(NC(=O)CN(C)C1CCS(=O)CC1)C(=O)N(C)C
InChIInChI=1S/C13H25N3O3S/c1-10(13(18)15(2)3)14-12(17)9-16(4)11-5-7-20(19)8-6-11/h10-11H,5-9H2,1-4H3,(H,14,17)
InChIKeyHGTZPRHVUAZIBK-UHFFFAOYSA-N
MW303.43 g/mol
LogP-0.58
Rot. Bonds5

About N,N-dimethyl-2-[[2-[methyl-(1-oxothian-4-yl)amino]acetyl]amino]propanamide

N,N-dimethyl-2-[[2-[methyl-(1-oxothian-4-yl)amino]acetyl]amino]propanamide (PubChem CID 75423651) has the molecular formula C13H25N3O3S and a molecular weight of 303.43 g/mol. Its IUPAC name is N,N-dimethyl-2-[[2-[methyl-(1-oxothian-4-yl)amino]acetyl]amino]propanamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[2-[methyl-(1-oxothian-4-yl)amino]acetyl]amino]propanamide
PubChem CID75423651
Molecular FormulaC13H25N3O3S
Molecular Weight303.43 g/mol
Exact Mass303.16
IUPAC NameN,N-dimethyl-2-[[2-[methyl-(1-oxothian-4-yl)amino]acetyl]amino]propanamide
SMILESCC(NC(=O)CN(C)C1CCS(=O)CC1)C(=O)N(C)C
InChIInChI=1S/C13H25N3O3S/c1-10(13(18)15(2)3)14-12(17)9-16(4)11-5-7-20(19)8-6-11/h10-11H,5-9H2,1-4H3,(H,14,17)
InChIKeyHGTZPRHVUAZIBK-UHFFFAOYSA-N
XLogP-0.58
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 5-0.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-[cyclohexyl(methyl)amino]acetyl]amino]propanoic acid
CID 82041637
2-[(4-hydroxycyclohexyl)-methylamino]-N-propan-2-ylacetamide
CID 114762510
N-[2-[[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]cyclopropanecarboxamide
CID 94191433
2-[2-[cyclopentyl(methyl)amino]ethylamino]-N,N-dimethylpropanamide
CID 63318305
2-[3-(cyclopropylamino)propanoylamino]-N,N-dimethylpropanamide
CID 60867427
2-[2-[cyclopropyl(methyl)amino]ethylamino]-N,N-dimethylpropanamide
CID 62977771
2-amino-N-methyl-N-(1-oxothian-4-yl)propanamide;hydrochloride
CID 130763017
2-[3-(4-aminocyclohexyl)propanoylamino]-N,N-dimethylpropanamide
CID 55116663
2-(3-aminopropanoylamino)-N,N-dimethylpropanamide
CID 43579388
N-butan-2-yl-2-[methyl-(4-oxocyclohexyl)amino]acetamide
CID 79120506
N-[2-(4-chlorophenyl)sulfanylphenyl]-2-[methyl-(1-oxothian-4-yl)amino]acetamide
CID 75534068
2-[[2-(2-ethylpiperidin-1-yl)acetyl]amino]-N,N-dimethylpropanamide
CID 87012431

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[2-[methyl-(1-oxothian-4-yl)amino]acetyl]amino]propanamide?
The IUPAC name of N,N-dimethyl-2-[[2-[methyl-(1-oxothian-4-yl)amino]acetyl]amino]propanamide (CID 75423651) is N,N-dimethyl-2-[[2-[methyl-(1-oxothian-4-yl)amino]acetyl]amino]propanamide.
What is the SMILES notation for N,N-dimethyl-2-[[2-[methyl-(1-oxothian-4-yl)amino]acetyl]amino]propanamide?
The canonical SMILES for N,N-dimethyl-2-[[2-[methyl-(1-oxothian-4-yl)amino]acetyl]amino]propanamide is CC(NC(=O)CN(C)C1CCS(=O)CC1)C(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-2-[[2-[methyl-(1-oxothian-4-yl)amino]acetyl]amino]propanamide?
The InChIKey is HGTZPRHVUAZIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3S/c1-10(13(18)15(2)3)14-12(17)9-16(4)11-5-7-20(19)8-6-11/h10-11H,5-9H2,1-4H3,(H,14,17).
What are the key properties of N,N-dimethyl-2-[[2-[methyl-(1-oxothian-4-yl)amino]acetyl]amino]propanamide?
N,N-dimethyl-2-[[2-[methyl-(1-oxothian-4-yl)amino]acetyl]amino]propanamide has a molecular weight of 303.43 g/mol, XLogP of -0.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[2-[methyl-(1-oxothian-4-yl)amino]acetyl]amino]propanamide is sourced from PubChem (CID 75423651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).