N-[2-(dipropylamino)ethyl]methanesulfonamide

C9H22N2O2S — CID 21354449

IUPACN-[2-(dipropylamino)ethyl]methanesulfonamide
SMILESCCCN(CCC)CCNS(C)(=O)=O
InChIInChI=1S/C9H22N2O2S/c1-4-7-11(8-5-2)9-6-10-14(3,12)13/h10H,4-9H2,1-3H3
InChIKeyWLYNTXCITHLRPJ-UHFFFAOYSA-N
MW222.35 g/mol
LogP0.66
Rot. Bonds8

About N-[2-(dipropylamino)ethyl]methanesulfonamide

N-[2-(dipropylamino)ethyl]methanesulfonamide (PubChem CID 21354449) has the molecular formula C9H22N2O2S and a molecular weight of 222.35 g/mol. Its IUPAC name is N-[2-(dipropylamino)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(dipropylamino)ethyl]methanesulfonamide
PubChem CID21354449
Molecular FormulaC9H22N2O2S
Molecular Weight222.35 g/mol
Exact Mass222.14
IUPAC NameN-[2-(dipropylamino)ethyl]methanesulfonamide
SMILESCCCN(CCC)CCNS(C)(=O)=O
InChIInChI=1S/C9H22N2O2S/c1-4-7-11(8-5-2)9-6-10-14(3,12)13/h10H,4-9H2,1-3H3
InChIKeyWLYNTXCITHLRPJ-UHFFFAOYSA-N
XLogP0.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.35
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dipropylamino)ethyl]methanesulfonamide?
The IUPAC name of N-[2-(dipropylamino)ethyl]methanesulfonamide (CID 21354449) is N-[2-(dipropylamino)ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-(dipropylamino)ethyl]methanesulfonamide?
The canonical SMILES for N-[2-(dipropylamino)ethyl]methanesulfonamide is CCCN(CCC)CCNS(C)(=O)=O.
What is the InChIKey of N-[2-(dipropylamino)ethyl]methanesulfonamide?
The InChIKey is WLYNTXCITHLRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O2S/c1-4-7-11(8-5-2)9-6-10-14(3,12)13/h10H,4-9H2,1-3H3.
What are the key properties of N-[2-(dipropylamino)ethyl]methanesulfonamide?
N-[2-(dipropylamino)ethyl]methanesulfonamide has a molecular weight of 222.35 g/mol, XLogP of 0.66, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dipropylamino)ethyl]methanesulfonamide is sourced from PubChem (CID 21354449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).