N,N-dipropylmethanesulfonamide

C7H17NO2S — CID 3332872

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

About N,N-dipropylmethanesulfonamide

N,N-dipropylmethanesulfonamide (PubChem CID 3332872) has the molecular formula C7H17NO2S and a molecular weight of 179.28 g/mol. Its IUPAC name is N,N-dipropylmethanesulfonamide.

Molecular Properties

Compound NameN,N-dipropylmethanesulfonamide
PubChem CID3332872
Molecular FormulaC7H17NO2S
Molecular Weight179.28 g/mol
Exact Mass179.10
IUPAC NameN,N-dipropylmethanesulfonamide
SMILESCCCN(CCC)S(C)(=O)=O
InChIInChI=1S/C7H17NO2S/c1-4-6-8(7-5-2)11(3,9)10/h4-7H2,1-3H3
InChIKeyMDNOAUDSYKTKJH-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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Frequently Asked Questions

What is the IUPAC name of N,N-dipropylmethanesulfonamide?
The IUPAC name of N,N-dipropylmethanesulfonamide (CID 3332872) is N,N-dipropylmethanesulfonamide.
What is the SMILES notation for N,N-dipropylmethanesulfonamide?
The canonical SMILES for N,N-dipropylmethanesulfonamide is CCCN(CCC)S(C)(=O)=O.
What is the InChIKey of N,N-dipropylmethanesulfonamide?
The InChIKey is MDNOAUDSYKTKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO2S/c1-4-6-8(7-5-2)11(3,9)10/h4-7H2,1-3H3.
What are the key properties of N,N-dipropylmethanesulfonamide?
N,N-dipropylmethanesulfonamide 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,N-dipropylmethanesulfonamide is sourced from PubChem (CID 3332872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).