N-(3-methylbutan-2-yl)ethanesulfonamide

C7H17NO2S — CID 61362639

IUPACN-(3-methylbutan-2-yl)ethanesulfonamide
SMILESCCS(=O)(=O)NC(C)C(C)C
InChIInChI=1S/C7H17NO2S/c1-5-11(9,10)8-7(4)6(2)3/h6-8H,5H2,1-4H3
InChIKeyIOTMQIFVFUKLCB-UHFFFAOYSA-N
MW179.28 g/mol
LogP0.97
Rot. Bonds4

About N-(3-methylbutan-2-yl)ethanesulfonamide

N-(3-methylbutan-2-yl)ethanesulfonamide (PubChem CID 61362639) has the molecular formula C7H17NO2S and a molecular weight of 179.28 g/mol. Its IUPAC name is N-(3-methylbutan-2-yl)ethanesulfonamide.

Molecular Properties

Compound NameN-(3-methylbutan-2-yl)ethanesulfonamide
PubChem CID61362639
Molecular FormulaC7H17NO2S
Molecular Weight179.28 g/mol
Exact Mass179.10
IUPAC NameN-(3-methylbutan-2-yl)ethanesulfonamide
SMILESCCS(=O)(=O)NC(C)C(C)C
InChIInChI=1S/C7H17NO2S/c1-5-11(9,10)8-7(4)6(2)3/h6-8H,5H2,1-4H3
InChIKeyIOTMQIFVFUKLCB-UHFFFAOYSA-N
XLogP0.97
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.28
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutan-2-yl)ethanesulfonamide?
The IUPAC name of N-(3-methylbutan-2-yl)ethanesulfonamide (CID 61362639) is N-(3-methylbutan-2-yl)ethanesulfonamide.
What is the SMILES notation for N-(3-methylbutan-2-yl)ethanesulfonamide?
The canonical SMILES for N-(3-methylbutan-2-yl)ethanesulfonamide is CCS(=O)(=O)NC(C)C(C)C.
What is the InChIKey of N-(3-methylbutan-2-yl)ethanesulfonamide?
The InChIKey is IOTMQIFVFUKLCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO2S/c1-5-11(9,10)8-7(4)6(2)3/h6-8H,5H2,1-4H3.
What are the key properties of N-(3-methylbutan-2-yl)ethanesulfonamide?
N-(3-methylbutan-2-yl)ethanesulfonamide has a molecular weight of 179.28 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutan-2-yl)ethanesulfonamide is sourced from PubChem (CID 61362639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).