(3S)-2,2-dimethyl-4-oxo-3-propan-2-ylazetidine-1-sulfonyl chloride

C8H14ClNO3S — CID 130681680

IUPAC(3S)-2,2-dimethyl-4-oxo-3-propan-2-ylazetidine-1-sulfonyl chloride
SMILESCC(C)[C@@H]1C(=O)N(S(=O)(=O)Cl)C1(C)C
InChIInChI=1S/C8H14ClNO3S/c1-5(2)6-7(11)10(8(6,3)4)14(9,12)13/h5-6H,1-4H3/t6-/m1/s1
InChIKeyNYYYYGAEPBTHJA-ZCFIWIBFSA-N
MW239.72 g/mol
LogP1.36
Rot. Bonds2

About (3S)-2,2-dimethyl-4-oxo-3-propan-2-ylazetidine-1-sulfonyl chloride

(3S)-2,2-dimethyl-4-oxo-3-propan-2-ylazetidine-1-sulfonyl chloride (PubChem CID 130681680) has the molecular formula C8H14ClNO3S and a molecular weight of 239.72 g/mol. Its IUPAC name is (3S)-2,2-dimethyl-4-oxo-3-propan-2-ylazetidine-1-sulfonyl chloride.

Molecular Properties

Compound Name(3S)-2,2-dimethyl-4-oxo-3-propan-2-ylazetidine-1-sulfonyl chloride
PubChem CID130681680
Molecular FormulaC8H14ClNO3S
Molecular Weight239.72 g/mol
Exact Mass239.04
IUPAC Name(3S)-2,2-dimethyl-4-oxo-3-propan-2-ylazetidine-1-sulfonyl chloride
SMILESCC(C)[C@@H]1C(=O)N(S(=O)(=O)Cl)C1(C)C
InChIInChI=1S/C8H14ClNO3S/c1-5(2)6-7(11)10(8(6,3)4)14(9,12)13/h5-6H,1-4H3/t6-/m1/s1
InChIKeyNYYYYGAEPBTHJA-ZCFIWIBFSA-N
XLogP1.36
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.72
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-2,2-dimethyl-4-oxo-3-propan-2-ylazetidine-1-sulfonyl chloride?
The IUPAC name of (3S)-2,2-dimethyl-4-oxo-3-propan-2-ylazetidine-1-sulfonyl chloride (CID 130681680) is (3S)-2,2-dimethyl-4-oxo-3-propan-2-ylazetidine-1-sulfonyl chloride.
What is the SMILES notation for (3S)-2,2-dimethyl-4-oxo-3-propan-2-ylazetidine-1-sulfonyl chloride?
The canonical SMILES for (3S)-2,2-dimethyl-4-oxo-3-propan-2-ylazetidine-1-sulfonyl chloride is CC(C)[C@@H]1C(=O)N(S(=O)(=O)Cl)C1(C)C.
What is the InChIKey of (3S)-2,2-dimethyl-4-oxo-3-propan-2-ylazetidine-1-sulfonyl chloride?
The InChIKey is NYYYYGAEPBTHJA-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H14ClNO3S/c1-5(2)6-7(11)10(8(6,3)4)14(9,12)13/h5-6H,1-4H3/t6-/m1/s1.
What are the key properties of (3S)-2,2-dimethyl-4-oxo-3-propan-2-ylazetidine-1-sulfonyl chloride?
(3S)-2,2-dimethyl-4-oxo-3-propan-2-ylazetidine-1-sulfonyl chloride has a molecular weight of 239.72 g/mol, XLogP of 1.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2,2-dimethyl-4-oxo-3-propan-2-ylazetidine-1-sulfonyl chloride is sourced from PubChem (CID 130681680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).