N-[(2R)-3-methylbutan-2-yl]ethanesulfonamide

C7H17NO2S — CID 58679591

IUPACN-[(2R)-3-methylbutan-2-yl]ethanesulfonamide
SMILESCCS(=O)(=O)N[C@H](C)C(C)C
InChIInChI=1S/C7H17NO2S/c1-5-11(9,10)8-7(4)6(2)3/h6-8H,5H2,1-4H3/t7-/m1/s1
InChIKeyIOTMQIFVFUKLCB-SSDOTTSWSA-N
MW179.28 g/mol
LogP0.97
Rot. Bonds4

About N-[(2R)-3-methylbutan-2-yl]ethanesulfonamide

N-[(2R)-3-methylbutan-2-yl]ethanesulfonamide (PubChem CID 58679591) has the molecular formula C7H17NO2S and a molecular weight of 179.28 g/mol. Its IUPAC name is N-[(2R)-3-methylbutan-2-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[(2R)-3-methylbutan-2-yl]ethanesulfonamide
PubChem CID58679591
Molecular FormulaC7H17NO2S
Molecular Weight179.28 g/mol
Exact Mass179.10
IUPAC NameN-[(2R)-3-methylbutan-2-yl]ethanesulfonamide
SMILESCCS(=O)(=O)N[C@H](C)C(C)C
InChIInChI=1S/C7H17NO2S/c1-5-11(9,10)8-7(4)6(2)3/h6-8H,5H2,1-4H3/t7-/m1/s1
InChIKeyIOTMQIFVFUKLCB-SSDOTTSWSA-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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Related Compounds

n-butyl-N-n-propylsulfonamide
CID 19681138
N-(1-cyclopropylethyl)-2-methylbutane-1-sulfonamide
CID 71931402
N-(3-aminopropyl)-2-methylbutane-1-sulfonamide
CID 91659838
N-(1,1,1-trifluoro-3-methylbutan-2-yl)ethanesulfonamide
CID 87159546
3-methyl-N-(1,1,1-trifluoro-3-methylbutan-2-yl)butane-1-sulfonamide
CID 137470800
N-[(3S)-3-fluorobutan-2-yl]propane-1-sulfonamide
CID 173808830
N-[(2R)-3-fluorobutan-2-yl]propane-1-sulfonamide
CID 173983735
2-Amino-3-methylbutane-1-sulfonyl fluoride
CID 165565222
3-Amino-4-methylpentane-1-sulfonyl fluoride
CID 165762611
N-(5-methylhexan-2-yl)propane-2-sulfonamide
CID 61361229
N-(2,4-dimethylpentan-3-yl)methanesulfonamide
CID 1280652
N-(3-methylbutyl)ethanesulfonamide
CID 3401117

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-methylbutan-2-yl]ethanesulfonamide?
The IUPAC name of N-[(2R)-3-methylbutan-2-yl]ethanesulfonamide (CID 58679591) is N-[(2R)-3-methylbutan-2-yl]ethanesulfonamide.
What is the SMILES notation for N-[(2R)-3-methylbutan-2-yl]ethanesulfonamide?
The canonical SMILES for N-[(2R)-3-methylbutan-2-yl]ethanesulfonamide is CCS(=O)(=O)N[C@H](C)C(C)C.
What is the InChIKey of N-[(2R)-3-methylbutan-2-yl]ethanesulfonamide?
The InChIKey is IOTMQIFVFUKLCB-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H17NO2S/c1-5-11(9,10)8-7(4)6(2)3/h6-8H,5H2,1-4H3/t7-/m1/s1.
What are the key properties of N-[(2R)-3-methylbutan-2-yl]ethanesulfonamide?
N-[(2R)-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-[(2R)-3-methylbutan-2-yl]ethanesulfonamide is sourced from PubChem (CID 58679591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).