2-(dimethylamino)-N-methyl-N-(1-oxopropan-2-yl)-3-sulfanylpropanamide

C9H18N2O2S — CID 58435614

IUPAC2-(dimethylamino)-N-methyl-N-(1-oxopropan-2-yl)-3-sulfanylpropanamide
SMILESCC(C=O)N(C)C(=O)C(CS)N(C)C
InChIInChI=1S/C9H18N2O2S/c1-7(5-12)11(4)9(13)8(6-14)10(2)3/h5,7-8,14H,6H2,1-4H3
InChIKeyQCBWVYVHHJGSAN-UHFFFAOYSA-N
MW218.32 g/mol
LogP-0.11
Rot. Bonds5

About 2-(dimethylamino)-N-methyl-N-(1-oxopropan-2-yl)-3-sulfanylpropanamide

2-(dimethylamino)-N-methyl-N-(1-oxopropan-2-yl)-3-sulfanylpropanamide (PubChem CID 58435614) has the molecular formula C9H18N2O2S and a molecular weight of 218.32 g/mol. Its IUPAC name is 2-(dimethylamino)-N-methyl-N-(1-oxopropan-2-yl)-3-sulfanylpropanamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-methyl-N-(1-oxopropan-2-yl)-3-sulfanylpropanamide
PubChem CID58435614
Molecular FormulaC9H18N2O2S
Molecular Weight218.32 g/mol
Exact Mass218.11
IUPAC Name2-(dimethylamino)-N-methyl-N-(1-oxopropan-2-yl)-3-sulfanylpropanamide
SMILESCC(C=O)N(C)C(=O)C(CS)N(C)C
InChIInChI=1S/C9H18N2O2S/c1-7(5-12)11(4)9(13)8(6-14)10(2)3/h5,7-8,14H,6H2,1-4H3
InChIKeyQCBWVYVHHJGSAN-UHFFFAOYSA-N
XLogP-0.11
TPSA40.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-(1-oxopropan-2-yl)propanamide
CID 19757607
(2R)-2-(dimethylamino)-3-sulfanylpropanoic acid;dihydrochloride
CID 88518958
4-methyl-2-[methyl(propan-2-yl)amino]-1-sulfanylpentan-3-one
CID 159039926
2-(dimethylamino)-N-(2-oxoethyl)propanamide
CID 21254696
2-[bis(2-aminopropanoyl)amino]-3-sulfanylpropanoic acid
CID 87411816
2-(dimethylamino)-4-methylpentan-3-one
CID 22983306
(2R)-2-[amino(methyl)amino]propanal
CID 88863582
6-azido-N-methyl-N-[(2S)-1-oxopropan-2-yl]hexanamide
CID 166933350
(2R)-2-[methyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-sulfanylpropanoic acid
CID 175023707
(2R)-2-[tert-butyl(methyl)amino]-4,4-dimethyl-1-sulfanylpentan-3-one
CID 176616481
5-(dimethylamino)-2-methyl-6-oxohexanoic acid
CID 126567384
4-(dimethylamino)-2-methylhept-6-en-3-one
CID 10821021

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-methyl-N-(1-oxopropan-2-yl)-3-sulfanylpropanamide?
The IUPAC name of 2-(dimethylamino)-N-methyl-N-(1-oxopropan-2-yl)-3-sulfanylpropanamide (CID 58435614) is 2-(dimethylamino)-N-methyl-N-(1-oxopropan-2-yl)-3-sulfanylpropanamide.
What is the SMILES notation for 2-(dimethylamino)-N-methyl-N-(1-oxopropan-2-yl)-3-sulfanylpropanamide?
The canonical SMILES for 2-(dimethylamino)-N-methyl-N-(1-oxopropan-2-yl)-3-sulfanylpropanamide is CC(C=O)N(C)C(=O)C(CS)N(C)C.
What is the InChIKey of 2-(dimethylamino)-N-methyl-N-(1-oxopropan-2-yl)-3-sulfanylpropanamide?
The InChIKey is QCBWVYVHHJGSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2S/c1-7(5-12)11(4)9(13)8(6-14)10(2)3/h5,7-8,14H,6H2,1-4H3.
What are the key properties of 2-(dimethylamino)-N-methyl-N-(1-oxopropan-2-yl)-3-sulfanylpropanamide?
2-(dimethylamino)-N-methyl-N-(1-oxopropan-2-yl)-3-sulfanylpropanamide has a molecular weight of 218.32 g/mol, XLogP of -0.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-methyl-N-(1-oxopropan-2-yl)-3-sulfanylpropanamide is sourced from PubChem (CID 58435614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).