N-methyl-N-propan-2-ylsulfonyl-3-thiophen-3-ylpropanamide

C11H17NO3S2 — CID 71974767

IUPACN-methyl-N-propan-2-ylsulfonyl-3-thiophen-3-ylpropanamide
SMILESCC(C)S(=O)(=O)N(C)C(=O)CCc1ccsc1
InChIInChI=1S/C11H17NO3S2/c1-9(2)17(14,15)12(3)11(13)5-4-10-6-7-16-8-10/h6-9H,4-5H2,1-3H3
InChIKeyDOMKLBLLDZIOSB-UHFFFAOYSA-N
MW275.39 g/mol
LogP1.88
Rot. Bonds5

About N-methyl-N-propan-2-ylsulfonyl-3-thiophen-3-ylpropanamide

N-methyl-N-propan-2-ylsulfonyl-3-thiophen-3-ylpropanamide (PubChem CID 71974767) has the molecular formula C11H17NO3S2 and a molecular weight of 275.39 g/mol. Its IUPAC name is N-methyl-N-propan-2-ylsulfonyl-3-thiophen-3-ylpropanamide.

Molecular Properties

Compound NameN-methyl-N-propan-2-ylsulfonyl-3-thiophen-3-ylpropanamide
PubChem CID71974767
Molecular FormulaC11H17NO3S2
Molecular Weight275.39 g/mol
Exact Mass275.06
IUPAC NameN-methyl-N-propan-2-ylsulfonyl-3-thiophen-3-ylpropanamide
SMILESCC(C)S(=O)(=O)N(C)C(=O)CCc1ccsc1
InChIInChI=1S/C11H17NO3S2/c1-9(2)17(14,15)12(3)11(13)5-4-10-6-7-16-8-10/h6-9H,4-5H2,1-3H3
InChIKeyDOMKLBLLDZIOSB-UHFFFAOYSA-N
XLogP1.88
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-1-thiophen-3-ylheptan-3-one
CID 114972135
N-[(3aS,6aR)-5-(dimethylamino)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-N-methyl-3-thiophen-3-ylpropanamide
CID 134703703
N-butyl-N-ethyl-3-thiophen-3-ylpropanamide
CID 86978752
4-ethoxy-5-methyl-1-thiophen-3-ylhexan-3-one
CID 116708679
1-[methyl(3-thiophen-3-ylpropanoyl)amino]cyclohexane-1-carboxylic acid
CID 120539458
3-(4-aminophenyl)-N-methyl-N-(thiophen-3-ylmethyl)propanamide
CID 54905173
2-(3-thiophen-3-ylpropanoylamino)propanoic acid
CID 115731118
N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-thiophen-3-ylpropanamide
CID 135119672
1-(3-methylthiophen-2-yl)-3-thiophen-3-ylpropan-1-one
CID 114972087
N-[(2S)-1-aminopropan-2-yl]-3-thiophen-3-ylpropanamide
CID 120507235
3-(2-thiophen-3-ylethylsulfonyl)butanoic acid
CID 66113466
3-methyl-2-(3-thiophen-3-ylpropanoylamino)butanoic acid
CID 119169875

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-propan-2-ylsulfonyl-3-thiophen-3-ylpropanamide?
The IUPAC name of N-methyl-N-propan-2-ylsulfonyl-3-thiophen-3-ylpropanamide (CID 71974767) is N-methyl-N-propan-2-ylsulfonyl-3-thiophen-3-ylpropanamide.
What is the SMILES notation for N-methyl-N-propan-2-ylsulfonyl-3-thiophen-3-ylpropanamide?
The canonical SMILES for N-methyl-N-propan-2-ylsulfonyl-3-thiophen-3-ylpropanamide is CC(C)S(=O)(=O)N(C)C(=O)CCc1ccsc1.
What is the InChIKey of N-methyl-N-propan-2-ylsulfonyl-3-thiophen-3-ylpropanamide?
The InChIKey is DOMKLBLLDZIOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S2/c1-9(2)17(14,15)12(3)11(13)5-4-10-6-7-16-8-10/h6-9H,4-5H2,1-3H3.
What are the key properties of N-methyl-N-propan-2-ylsulfonyl-3-thiophen-3-ylpropanamide?
N-methyl-N-propan-2-ylsulfonyl-3-thiophen-3-ylpropanamide has a molecular weight of 275.39 g/mol, XLogP of 1.88, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-propan-2-ylsulfonyl-3-thiophen-3-ylpropanamide is sourced from PubChem (CID 71974767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).