(E)-N-[(2S)-3-methylbutan-2-yl]prop-1-ene-1-sulfonamide

C8H17NO2S — CID 167077129

IUPAC(E)-N-[(2S)-3-methylbutan-2-yl]prop-1-ene-1-sulfonamide
SMILESC/C=C/S(=O)(=O)N[C@@H](C)C(C)C
InChIInChI=1S/C8H17NO2S/c1-5-6-12(10,11)9-8(4)7(2)3/h5-9H,1-4H3/b6-5+/t8-/m0/s1
InChIKeyLAABTEJZUGFLLW-GJIOHYHPSA-N
MW191.30 g/mol
LogP1.48
Rot. Bonds4

About (E)-N-[(2S)-3-methylbutan-2-yl]prop-1-ene-1-sulfonamide

(E)-N-[(2S)-3-methylbutan-2-yl]prop-1-ene-1-sulfonamide (PubChem CID 167077129) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is (E)-N-[(2S)-3-methylbutan-2-yl]prop-1-ene-1-sulfonamide.

Molecular Properties

Compound Name(E)-N-[(2S)-3-methylbutan-2-yl]prop-1-ene-1-sulfonamide
PubChem CID167077129
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC Name(E)-N-[(2S)-3-methylbutan-2-yl]prop-1-ene-1-sulfonamide
SMILESC/C=C/S(=O)(=O)N[C@@H](C)C(C)C
InChIInChI=1S/C8H17NO2S/c1-5-6-12(10,11)9-8(4)7(2)3/h5-9H,1-4H3/b6-5+/t8-/m0/s1
InChIKeyLAABTEJZUGFLLW-GJIOHYHPSA-N
XLogP1.48
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[(2S)-3-methylbutan-2-yl]prop-1-ene-1-sulfonamide?
The IUPAC name of (E)-N-[(2S)-3-methylbutan-2-yl]prop-1-ene-1-sulfonamide (CID 167077129) is (E)-N-[(2S)-3-methylbutan-2-yl]prop-1-ene-1-sulfonamide.
What is the SMILES notation for (E)-N-[(2S)-3-methylbutan-2-yl]prop-1-ene-1-sulfonamide?
The canonical SMILES for (E)-N-[(2S)-3-methylbutan-2-yl]prop-1-ene-1-sulfonamide is C/C=C/S(=O)(=O)N[C@@H](C)C(C)C.
What is the InChIKey of (E)-N-[(2S)-3-methylbutan-2-yl]prop-1-ene-1-sulfonamide?
The InChIKey is LAABTEJZUGFLLW-GJIOHYHPSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-5-6-12(10,11)9-8(4)7(2)3/h5-9H,1-4H3/b6-5+/t8-/m0/s1.
What are the key properties of (E)-N-[(2S)-3-methylbutan-2-yl]prop-1-ene-1-sulfonamide?
(E)-N-[(2S)-3-methylbutan-2-yl]prop-1-ene-1-sulfonamide has a molecular weight of 191.30 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(2S)-3-methylbutan-2-yl]prop-1-ene-1-sulfonamide is sourced from PubChem (CID 167077129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).