N-methyl-N-propylpropane-1-sulfonamide

C7H17NO2S — CID 59491856

IUPACN-methyl-N-propylpropane-1-sulfonamide
SMILESCCCN(C)S(=O)(=O)CCC
InChIInChI=1S/C7H17NO2S/c1-4-6-8(3)11(9,10)7-5-2/h4-7H2,1-3H3
InChIKeyMTHFOPWOHZLVOH-UHFFFAOYSA-N
MW179.28 g/mol
LogP1.07
Rot. Bonds5

About N-methyl-N-propylpropane-1-sulfonamide

N-methyl-N-propylpropane-1-sulfonamide (PubChem CID 59491856) has the molecular formula C7H17NO2S and a molecular weight of 179.28 g/mol. Its IUPAC name is N-methyl-N-propylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-propylpropane-1-sulfonamide
PubChem CID59491856
Molecular FormulaC7H17NO2S
Molecular Weight179.28 g/mol
Exact Mass179.10
IUPAC NameN-methyl-N-propylpropane-1-sulfonamide
SMILESCCCN(C)S(=O)(=O)CCC
InChIInChI=1S/C7H17NO2S/c1-4-6-8(3)11(9,10)7-5-2/h4-7H2,1-3H3
InChIKeyMTHFOPWOHZLVOH-UHFFFAOYSA-N
XLogP1.07
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.28
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-(2-methylsulfonylethyl)propane-1-sulfonamide
CID 78925049
N-methyl-N-propylbut-3-ene-1-sulfonamide
CID 88853268
N-methyl-N-[2-(propan-2-ylamino)ethyl]propane-1-sulfonamide
CID 165444690
2-[ethylsulfonyl(methyl)amino]ethanesulfonic acid
CID 175207479
N-(cyclopentylmethyl)-N-methylpropane-1-sulfonamide
CID 62068860
N-(2-aminoethyl)-N-propylpropane-1-sulfonamide
CID 61348593
N-methyl-2-piperidin-2-yl-N-propylethanesulfonamide
CID 60863663
N-[2-(4-fluorophenoxy)ethyl]-N-methylpropane-1-sulfonamide
CID 61383893
N-methoxy-N-methylpropane-1-sulfonamide
CID 64591183
1-propylsulfonylpropane
CID 11709
N-ethyl-N-methylheptane-1-sulfonamide
CID 131966885
N,N-dimethylpropan-1-amine;propane-1-sulfonic acid
CID 173037314

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-propylpropane-1-sulfonamide?
The IUPAC name of N-methyl-N-propylpropane-1-sulfonamide (CID 59491856) is N-methyl-N-propylpropane-1-sulfonamide.
What is the SMILES notation for N-methyl-N-propylpropane-1-sulfonamide?
The canonical SMILES for N-methyl-N-propylpropane-1-sulfonamide is CCCN(C)S(=O)(=O)CCC.
What is the InChIKey of N-methyl-N-propylpropane-1-sulfonamide?
The InChIKey is MTHFOPWOHZLVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO2S/c1-4-6-8(3)11(9,10)7-5-2/h4-7H2,1-3H3.
What are the key properties of N-methyl-N-propylpropane-1-sulfonamide?
N-methyl-N-propylpropane-1-sulfonamide has a molecular weight of 179.28 g/mol, XLogP of 1.07, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-propylpropane-1-sulfonamide is sourced from PubChem (CID 59491856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).