N,N-di(butan-2-yl)ethanesulfonamide

C10H23NO2S — CID 4100602

IUPACN,N-di(butan-2-yl)ethanesulfonamide
SMILESCCC(C)N(C(C)CC)S(=O)(=O)CC
InChIInChI=1S/C10H23NO2S/c1-6-9(4)11(10(5)7-2)14(12,13)8-3/h9-10H,6-8H2,1-5H3
InChIKeyTVACPCGKKHJWME-UHFFFAOYSA-N
MW221.37 g/mol
LogP2.24
Rot. Bonds6

About N,N-di(butan-2-yl)ethanesulfonamide

N,N-di(butan-2-yl)ethanesulfonamide (PubChem CID 4100602) has the molecular formula C10H23NO2S and a molecular weight of 221.37 g/mol. Its IUPAC name is N,N-di(butan-2-yl)ethanesulfonamide.

Molecular Properties

Compound NameN,N-di(butan-2-yl)ethanesulfonamide
PubChem CID4100602
Molecular FormulaC10H23NO2S
Molecular Weight221.37 g/mol
Exact Mass221.14
IUPAC NameN,N-di(butan-2-yl)ethanesulfonamide
SMILESCCC(C)N(C(C)CC)S(=O)(=O)CC
InChIInChI=1S/C10H23NO2S/c1-6-9(4)11(10(5)7-2)14(12,13)8-3/h9-10H,6-8H2,1-5H3
InChIKeyTVACPCGKKHJWME-UHFFFAOYSA-N
XLogP2.24
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-di(butan-2-yl)ethanesulfonamide?
The IUPAC name of N,N-di(butan-2-yl)ethanesulfonamide (CID 4100602) is N,N-di(butan-2-yl)ethanesulfonamide.
What is the SMILES notation for N,N-di(butan-2-yl)ethanesulfonamide?
The canonical SMILES for N,N-di(butan-2-yl)ethanesulfonamide is CCC(C)N(C(C)CC)S(=O)(=O)CC.
What is the InChIKey of N,N-di(butan-2-yl)ethanesulfonamide?
The InChIKey is TVACPCGKKHJWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2S/c1-6-9(4)11(10(5)7-2)14(12,13)8-3/h9-10H,6-8H2,1-5H3.
What are the key properties of N,N-di(butan-2-yl)ethanesulfonamide?
N,N-di(butan-2-yl)ethanesulfonamide has a molecular weight of 221.37 g/mol, XLogP of 2.24, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-di(butan-2-yl)ethanesulfonamide is sourced from PubChem (CID 4100602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).