N-propyl-2-propylsulfonylacetamide

C8H17NO3S — CID 86989509

IUPACN-propyl-2-propylsulfonylacetamide
SMILESCCCNC(=O)CS(=O)(=O)CCC
InChIInChI=1S/C8H17NO3S/c1-3-5-9-8(10)7-13(11,12)6-4-2/h3-7H2,1-2H3,(H,9,10)
InChIKeyAPCMDNORQXGMLL-UHFFFAOYSA-N
MW207.29 g/mol
LogP0.34
Rot. Bonds6

About N-propyl-2-propylsulfonylacetamide

N-propyl-2-propylsulfonylacetamide (PubChem CID 86989509) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is N-propyl-2-propylsulfonylacetamide.

Molecular Properties

Compound NameN-propyl-2-propylsulfonylacetamide
PubChem CID86989509
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC NameN-propyl-2-propylsulfonylacetamide
SMILESCCCNC(=O)CS(=O)(=O)CCC
InChIInChI=1S/C8H17NO3S/c1-3-5-9-8(10)7-13(11,12)6-4-2/h3-7H2,1-2H3,(H,9,10)
InChIKeyAPCMDNORQXGMLL-UHFFFAOYSA-N
XLogP0.34
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2-propylsulfonylacetyl)amino]pentanoic acid
CID 119234428
N-butyl-2-(2-hydroxyethylsulfonyl)acetamide
CID 82181707
2-(2-aminoethylsulfonyl)-N-butylacetamide
CID 79015229
N-propyl-2-(propylsulfonylamino)acetamide
CID 61383991
N-(2-amino-2-ethylbutyl)-2-propylsulfonylacetamide
CID 119640214
2-benzylsulfonyl-N-propylacetamide
CID 47155800
N-(3-propylsulfonylpropyl)propanamide
CID 146416714
4-[2-[(2-propylsulfonylacetyl)amino]ethyl]benzoic acid
CID 119168684
2-[2-(4-methylanilino)-2-oxoethyl]sulfonyl-N-propylacetamide
CID 39083686
2-[(4-aminophenyl)methylsulfonyl]-N-propylacetamide
CID 82178541
methyl 3-[2-(2-aminoethylamino)-2-oxoethyl]sulfonylpropanoate
CID 64697428
2-(2-hydroxyethylsulfonyl)-N-(2-methoxyethyl)acetamide
CID 82181706

Frequently Asked Questions

What is the IUPAC name of N-propyl-2-propylsulfonylacetamide?
The IUPAC name of N-propyl-2-propylsulfonylacetamide (CID 86989509) is N-propyl-2-propylsulfonylacetamide.
What is the SMILES notation for N-propyl-2-propylsulfonylacetamide?
The canonical SMILES for N-propyl-2-propylsulfonylacetamide is CCCNC(=O)CS(=O)(=O)CCC.
What is the InChIKey of N-propyl-2-propylsulfonylacetamide?
The InChIKey is APCMDNORQXGMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-3-5-9-8(10)7-13(11,12)6-4-2/h3-7H2,1-2H3,(H,9,10).
What are the key properties of N-propyl-2-propylsulfonylacetamide?
N-propyl-2-propylsulfonylacetamide has a molecular weight of 207.29 g/mol, XLogP of 0.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-propylsulfonylacetamide is sourced from PubChem (CID 86989509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).