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

C11H27NO2S — CID 159105698

IUPACN,N-di(butan-2-yl)ethanesulfonamide;methane
SMILESC.CCC(C)N(C(C)CC)S(=O)(=O)CC
InChIInChI=1S/C10H23NO2S.CH4/c1-6-9(4)11(10(5)7-2)14(12,13)8-3;/h9-10H,6-8H2,1-5H3;1H4
InChIKeyKDVVSMQDWSCFLO-UHFFFAOYSA-N
MW237.41 g/mol
LogP2.87
Rot. Bonds6

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

N,N-di(butan-2-yl)ethanesulfonamide;methane (PubChem CID 159105698) has the molecular formula C11H27NO2S and a molecular weight of 237.41 g/mol. Its IUPAC name is N,N-di(butan-2-yl)ethanesulfonamide;methane.

Molecular Properties

Compound NameN,N-di(butan-2-yl)ethanesulfonamide;methane
PubChem CID159105698
Molecular FormulaC11H27NO2S
Molecular Weight237.41 g/mol
Exact Mass237.18
IUPAC NameN,N-di(butan-2-yl)ethanesulfonamide;methane
SMILESC.CCC(C)N(C(C)CC)S(=O)(=O)CC
InChIInChI=1S/C10H23NO2S.CH4/c1-6-9(4)11(10(5)7-2)14(12,13)8-3;/h9-10H,6-8H2,1-5H3;1H4
InChIKeyKDVVSMQDWSCFLO-UHFFFAOYSA-N
XLogP2.87
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.41
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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N,N-diethylhexane-1-sulfonamide
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Ethanesulfonic acid, 2-[bis(1-methylethyl)amino]-
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N,N-Bis(1-methylethyl)ethenesulfonamide
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Triethylammoniumpropane sulfonate
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CID 89281472

Frequently Asked Questions

What is the IUPAC name of N,N-di(butan-2-yl)ethanesulfonamide;methane?
The IUPAC name of N,N-di(butan-2-yl)ethanesulfonamide;methane (CID 159105698) is N,N-di(butan-2-yl)ethanesulfonamide;methane.
What is the SMILES notation for N,N-di(butan-2-yl)ethanesulfonamide;methane?
The canonical SMILES for N,N-di(butan-2-yl)ethanesulfonamide;methane is C.CCC(C)N(C(C)CC)S(=O)(=O)CC.
What is the InChIKey of N,N-di(butan-2-yl)ethanesulfonamide;methane?
The InChIKey is KDVVSMQDWSCFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2S.CH4/c1-6-9(4)11(10(5)7-2)14(12,13)8-3;/h9-10H,6-8H2,1-5H3;1H4.
What are the key properties of N,N-di(butan-2-yl)ethanesulfonamide;methane?
N,N-di(butan-2-yl)ethanesulfonamide;methane has a molecular weight of 237.41 g/mol, XLogP of 2.87, 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;methane is sourced from PubChem (CID 159105698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).