(2S)-1-(benzenesulfonyl)-2-(chloromethyl)aziridine

C9H10ClNO2S — CID 7368706

IUPAC(2S)-1-(benzenesulfonyl)-2-(chloromethyl)aziridine
SMILESO=S(=O)(c1ccccc1)N1C[C@H]1CCl
InChIInChI=1S/C9H10ClNO2S/c10-6-8-7-11(8)14(12,13)9-4-2-1-3-5-9/h1-5,8H,6-7H2/t8-,11?/m1/s1
InChIKeySQTMFYHGMHORHJ-RZZZFEHKSA-N
MW231.70 g/mol
LogP1.30
Rot. Bonds3

About (2S)-1-(benzenesulfonyl)-2-(chloromethyl)aziridine

(2S)-1-(benzenesulfonyl)-2-(chloromethyl)aziridine (PubChem CID 7368706) has the molecular formula C9H10ClNO2S and a molecular weight of 231.70 g/mol. Its IUPAC name is (2S)-1-(benzenesulfonyl)-2-(chloromethyl)aziridine.

Molecular Properties

Compound Name(2S)-1-(benzenesulfonyl)-2-(chloromethyl)aziridine
PubChem CID7368706
Molecular FormulaC9H10ClNO2S
Molecular Weight231.70 g/mol
Exact Mass231.01
IUPAC Name(2S)-1-(benzenesulfonyl)-2-(chloromethyl)aziridine
SMILESO=S(=O)(c1ccccc1)N1C[C@H]1CCl
InChIInChI=1S/C9H10ClNO2S/c10-6-8-7-11(8)14(12,13)9-4-2-1-3-5-9/h1-5,8H,6-7H2/t8-,11?/m1/s1
InChIKeySQTMFYHGMHORHJ-RZZZFEHKSA-N
XLogP1.30
TPSA37.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.70
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(2R)-1-(benzenesulfonyl)-2-ethylaziridine
CID 22957230
1-(benzenesulfonyl)-2-phenylaziridine
CID 576325
1-(benzenesulfonyl)-3-(chloromethyl)piperidine
CID 63397663
(2S,4R)-1-(benzenesulfonyl)-4-methoxy-2-(methoxymethyl)pyrrolidine
CID 128975294
4-(benzenesulfonyl)-2-benzyl-5-methylmorpholine
CID 110644067
1-(benzenesulfonyl)-2-(iodomethyl)piperidine
CID 71381040
2-(chloromethyl)-1-(4-chlorophenyl)sulfonylpyrrolidine
CID 63397694
3-(benzenesulfonyl)-3-azabicyclo[3.1.0]hexane
CID 77427931
(4R)-1,3-bis(benzenesulfonyl)-4-methylimidazolidine
CID 124927772
(2S)-1-(benzenesulfonyl)-2-methylazetidine
CID 174287686
(2S)-1-(benzenesulfonyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine
CID 141334069
[4-(benzenesulfonyl)-6-(hydroxymethyl)morpholin-2-yl]methanol
CID 18540374

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(benzenesulfonyl)-2-(chloromethyl)aziridine?
The IUPAC name of (2S)-1-(benzenesulfonyl)-2-(chloromethyl)aziridine (CID 7368706) is (2S)-1-(benzenesulfonyl)-2-(chloromethyl)aziridine.
What is the SMILES notation for (2S)-1-(benzenesulfonyl)-2-(chloromethyl)aziridine?
The canonical SMILES for (2S)-1-(benzenesulfonyl)-2-(chloromethyl)aziridine is O=S(=O)(c1ccccc1)N1C[C@H]1CCl.
What is the InChIKey of (2S)-1-(benzenesulfonyl)-2-(chloromethyl)aziridine?
The InChIKey is SQTMFYHGMHORHJ-RZZZFEHKSA-N. The full InChI is InChI=1S/C9H10ClNO2S/c10-6-8-7-11(8)14(12,13)9-4-2-1-3-5-9/h1-5,8H,6-7H2/t8-,11?/m1/s1.
What are the key properties of (2S)-1-(benzenesulfonyl)-2-(chloromethyl)aziridine?
(2S)-1-(benzenesulfonyl)-2-(chloromethyl)aziridine has a molecular weight of 231.70 g/mol, XLogP of 1.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(benzenesulfonyl)-2-(chloromethyl)aziridine is sourced from PubChem (CID 7368706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).