N,N-dimethyl-2-(pentan-3-ylamino)ethanesulfonamide

C9H22N2O2S — CID 50980466

IUPACN,N-dimethyl-2-(pentan-3-ylamino)ethanesulfonamide
SMILESCCC(CC)NCCS(=O)(=O)N(C)C
InChIInChI=1S/C9H22N2O2S/c1-5-9(6-2)10-7-8-14(12,13)11(3)4/h9-10H,5-8H2,1-4H3
InChIKeyYVNRBZJVGFMVLU-UHFFFAOYSA-N
MW222.35 g/mol
LogP0.66
Rot. Bonds7

About N,N-dimethyl-2-(pentan-3-ylamino)ethanesulfonamide

N,N-dimethyl-2-(pentan-3-ylamino)ethanesulfonamide (PubChem CID 50980466) has the molecular formula C9H22N2O2S and a molecular weight of 222.35 g/mol. Its IUPAC name is N,N-dimethyl-2-(pentan-3-ylamino)ethanesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-2-(pentan-3-ylamino)ethanesulfonamide
PubChem CID50980466
Molecular FormulaC9H22N2O2S
Molecular Weight222.35 g/mol
Exact Mass222.14
IUPAC NameN,N-dimethyl-2-(pentan-3-ylamino)ethanesulfonamide
SMILESCCC(CC)NCCS(=O)(=O)N(C)C
InChIInChI=1S/C9H22N2O2S/c1-5-9(6-2)10-7-8-14(12,13)11(3)4/h9-10H,5-8H2,1-4H3
InChIKeyYVNRBZJVGFMVLU-UHFFFAOYSA-N
XLogP0.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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,N-dimethyl-2-(pentan-3-ylamino)ethanesulfonamide?
The IUPAC name of N,N-dimethyl-2-(pentan-3-ylamino)ethanesulfonamide (CID 50980466) is N,N-dimethyl-2-(pentan-3-ylamino)ethanesulfonamide.
What is the SMILES notation for N,N-dimethyl-2-(pentan-3-ylamino)ethanesulfonamide?
The canonical SMILES for N,N-dimethyl-2-(pentan-3-ylamino)ethanesulfonamide is CCC(CC)NCCS(=O)(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-2-(pentan-3-ylamino)ethanesulfonamide?
The InChIKey is YVNRBZJVGFMVLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O2S/c1-5-9(6-2)10-7-8-14(12,13)11(3)4/h9-10H,5-8H2,1-4H3.
What are the key properties of N,N-dimethyl-2-(pentan-3-ylamino)ethanesulfonamide?
N,N-dimethyl-2-(pentan-3-ylamino)ethanesulfonamide has a molecular weight of 222.35 g/mol, XLogP of 0.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(pentan-3-ylamino)ethanesulfonamide is sourced from PubChem (CID 50980466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).