(4S)-4-[(2R,3R)-3-aminobutan-2-yl]cyclobut-2-ene-1-sulfonyl chloride

C8H14ClNO2S — CID 174149422

IUPAC(4S)-4-[(2R,3R)-3-aminobutan-2-yl]cyclobut-2-ene-1-sulfonyl chloride
SMILESC[C@H]([C@@H]1C=CC1S(=O)(=O)Cl)[C@@H](C)N
InChIInChI=1S/C8H14ClNO2S/c1-5(6(2)10)7-3-4-8(7)13(9,11)12/h3-8H,10H2,1-2H3/t5-,6+,7-,8?/m0/s1
InChIKeyOSJZKAFUJWFSBH-SZVWITLZSA-N
MW223.73 g/mol
LogP1.09
Rot. Bonds3

About (4S)-4-[(2R,3R)-3-aminobutan-2-yl]cyclobut-2-ene-1-sulfonyl chloride

(4S)-4-[(2R,3R)-3-aminobutan-2-yl]cyclobut-2-ene-1-sulfonyl chloride (PubChem CID 174149422) has the molecular formula C8H14ClNO2S and a molecular weight of 223.73 g/mol. Its IUPAC name is (4S)-4-[(2R,3R)-3-aminobutan-2-yl]cyclobut-2-ene-1-sulfonyl chloride.

Molecular Properties

Compound Name(4S)-4-[(2R,3R)-3-aminobutan-2-yl]cyclobut-2-ene-1-sulfonyl chloride
PubChem CID174149422
Molecular FormulaC8H14ClNO2S
Molecular Weight223.73 g/mol
Exact Mass223.04
IUPAC Name(4S)-4-[(2R,3R)-3-aminobutan-2-yl]cyclobut-2-ene-1-sulfonyl chloride
SMILESC[C@H]([C@@H]1C=CC1S(=O)(=O)Cl)[C@@H](C)N
InChIInChI=1S/C8H14ClNO2S/c1-5(6(2)10)7-3-4-8(7)13(9,11)12/h3-8H,10H2,1-2H3/t5-,6+,7-,8?/m0/s1
InChIKeyOSJZKAFUJWFSBH-SZVWITLZSA-N
XLogP1.09
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.73
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(2R,3R)-3-aminobutan-2-yl]cyclobut-2-ene-1-sulfonyl chloride?
The IUPAC name of (4S)-4-[(2R,3R)-3-aminobutan-2-yl]cyclobut-2-ene-1-sulfonyl chloride (CID 174149422) is (4S)-4-[(2R,3R)-3-aminobutan-2-yl]cyclobut-2-ene-1-sulfonyl chloride.
What is the SMILES notation for (4S)-4-[(2R,3R)-3-aminobutan-2-yl]cyclobut-2-ene-1-sulfonyl chloride?
The canonical SMILES for (4S)-4-[(2R,3R)-3-aminobutan-2-yl]cyclobut-2-ene-1-sulfonyl chloride is C[C@H]([C@@H]1C=CC1S(=O)(=O)Cl)[C@@H](C)N.
What is the InChIKey of (4S)-4-[(2R,3R)-3-aminobutan-2-yl]cyclobut-2-ene-1-sulfonyl chloride?
The InChIKey is OSJZKAFUJWFSBH-SZVWITLZSA-N. The full InChI is InChI=1S/C8H14ClNO2S/c1-5(6(2)10)7-3-4-8(7)13(9,11)12/h3-8H,10H2,1-2H3/t5-,6+,7-,8?/m0/s1.
What are the key properties of (4S)-4-[(2R,3R)-3-aminobutan-2-yl]cyclobut-2-ene-1-sulfonyl chloride?
(4S)-4-[(2R,3R)-3-aminobutan-2-yl]cyclobut-2-ene-1-sulfonyl chloride has a molecular weight of 223.73 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(2R,3R)-3-aminobutan-2-yl]cyclobut-2-ene-1-sulfonyl chloride is sourced from PubChem (CID 174149422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).