(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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Related Compounds

2-oxo-6-propan-2-yl-7-oxa-1-azaspiro[3.5]nonane-1-sulfonyl chloride
CID 64666174
6,6,8-trimethyl-2-oxo-1-azaspiro[3.5]nonane-1-sulfonyl chloride
CID 64664074
1,3,4,4-tetramethylazetidin-2-one
CID 122674816
1,3-dimethyl-6-propan-2-ylpiperazin-2-one
CID 130002969
7,7-dimethyl-2-oxo-1-azaspiro[3.3]heptane-1-sulfonyl chloride
CID 130555346
1,5-dihydroxy-4-methyl-3,4-di(propan-2-yl)pyrrolidin-2-one
CID 134299206
6-methyl-2-oxo-1-azaspiro[3.5]nonane-1-sulfonyl chloride
CID 64664276
6,6-dimethyl-2-oxo-7-oxa-1-azaspiro[3.5]nonane-1-sulfonyl chloride
CID 64664495
1-(chloromethyl)-3,5,5-trimethylpyrrolidin-2-one
CID 23348641
3-(2,2-dimethylcyclopropyl)-5-methyl-2-propan-2-ylimidazolidin-4-one
CID 83247388
5,5-dimethyl-4-propan-2-ylpyrrolidin-2-one
CID 66107845
3,3,4-trimethyl-1-propan-2-ylpyrrolidine-2,5-dione
CID 66823698

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).