(3S)-3-(4-bromophenyl)-2-ethyl-1,2-thiazolidine 1,1-dioxide

C11H14BrNO2S — CID 164631360

IUPAC(3S)-3-(4-bromophenyl)-2-ethyl-1,2-thiazolidine 1,1-dioxide
SMILESCCN1[C@H](c2ccc(Br)cc2)CCS1(=O)=O
InChIInChI=1S/C11H14BrNO2S/c1-2-13-11(7-8-16(13,14)15)9-3-5-10(12)6-4-9/h3-6,11H,2,7-8H2,1H3/t11-/m0/s1
InChIKeyJNKYMXDXLKUKKE-NSHDSACASA-N
MW304.21 g/mol
LogP2.55
Rot. Bonds2

About (3S)-3-(4-bromophenyl)-2-ethyl-1,2-thiazolidine 1,1-dioxide

(3S)-3-(4-bromophenyl)-2-ethyl-1,2-thiazolidine 1,1-dioxide (PubChem CID 164631360) has the molecular formula C11H14BrNO2S and a molecular weight of 304.21 g/mol. Its IUPAC name is (3S)-3-(4-bromophenyl)-2-ethyl-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name(3S)-3-(4-bromophenyl)-2-ethyl-1,2-thiazolidine 1,1-dioxide
PubChem CID164631360
Molecular FormulaC11H14BrNO2S
Molecular Weight304.21 g/mol
Exact Mass302.99
IUPAC Name(3S)-3-(4-bromophenyl)-2-ethyl-1,2-thiazolidine 1,1-dioxide
SMILESCCN1[C@H](c2ccc(Br)cc2)CCS1(=O)=O
InChIInChI=1S/C11H14BrNO2S/c1-2-13-11(7-8-16(13,14)15)9-3-5-10(12)6-4-9/h3-6,11H,2,7-8H2,1H3/t11-/m0/s1
InChIKeyJNKYMXDXLKUKKE-NSHDSACASA-N
XLogP2.55
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.21
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-Bromophenyl)-3-methylsulfonyl-1,3-thiazolidine
CID 5199339
2-(4-Bromophenyl)-1-methylpyrrolidine
CID 284897
2-[(4-Bromophenyl)methyl]-1,5,2-dithiazepane 1,1-dioxide
CID 53245344
N-[(4-bromophenyl)methyl]-2-[2-(dimethylamino)ethyl-methylamino]ethanesulfonamide
CID 76310307
N-((1S)-1-(4-bromophenyl)ethyl)methanesulfonamide
CID 28560459
2-(4-Bromobenzyl)isothiazolidine 1,1-dioxide
CID 47176171
4-(4-Bromo-benzyl)-thiomorpholine 1,1-dioxide
CID 52325468
N-[(4-bromophenyl)methyl]-N-methylmethanesulfonamide
CID 60681431
N-[3-[2-(3-bromophenyl)pyrrolidin-1-yl]propyl]methanesulfonamide
CID 47078002
N-[(4-bromophenyl)methyl]-2-pyrrolidin-1-ylethanesulfonamide
CID 76328427
N-[(4-bromophenyl)methyl]-2-(dimethylamino)ethanesulfonamide
CID 76328428
N-[(4-bromophenyl)methyl]-N-prop-2-ynylmethanesulfonamide
CID 155560227

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(4-bromophenyl)-2-ethyl-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of (3S)-3-(4-bromophenyl)-2-ethyl-1,2-thiazolidine 1,1-dioxide (CID 164631360) is (3S)-3-(4-bromophenyl)-2-ethyl-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for (3S)-3-(4-bromophenyl)-2-ethyl-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for (3S)-3-(4-bromophenyl)-2-ethyl-1,2-thiazolidine 1,1-dioxide is CCN1[C@H](c2ccc(Br)cc2)CCS1(=O)=O.
What is the InChIKey of (3S)-3-(4-bromophenyl)-2-ethyl-1,2-thiazolidine 1,1-dioxide?
The InChIKey is JNKYMXDXLKUKKE-NSHDSACASA-N. The full InChI is InChI=1S/C11H14BrNO2S/c1-2-13-11(7-8-16(13,14)15)9-3-5-10(12)6-4-9/h3-6,11H,2,7-8H2,1H3/t11-/m0/s1.
What are the key properties of (3S)-3-(4-bromophenyl)-2-ethyl-1,2-thiazolidine 1,1-dioxide?
(3S)-3-(4-bromophenyl)-2-ethyl-1,2-thiazolidine 1,1-dioxide has a molecular weight of 304.21 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(4-bromophenyl)-2-ethyl-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 164631360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).