[(2R)-2-propan-2-ylpentyl]sulfonylbenzene

C14H22O2S — CID 139881589

IUPAC[(2R)-2-propan-2-ylpentyl]sulfonylbenzene
SMILESCCC[C@@H](CS(=O)(=O)c1ccccc1)C(C)C
InChIInChI=1S/C14H22O2S/c1-4-8-13(12(2)3)11-17(15,16)14-9-6-5-7-10-14/h5-7,9-10,12-13H,4,8,11H2,1-3H3/t13-/m0/s1
InChIKeyVYFCHJNIQMERNZ-ZDUSSCGKSA-N
MW254.39 g/mol
LogP3.53
Rot. Bonds6

About [(2R)-2-propan-2-ylpentyl]sulfonylbenzene

[(2R)-2-propan-2-ylpentyl]sulfonylbenzene (PubChem CID 139881589) has the molecular formula C14H22O2S and a molecular weight of 254.39 g/mol. Its IUPAC name is [(2R)-2-propan-2-ylpentyl]sulfonylbenzene.

Molecular Properties

Compound Name[(2R)-2-propan-2-ylpentyl]sulfonylbenzene
PubChem CID139881589
Molecular FormulaC14H22O2S
Molecular Weight254.39 g/mol
Exact Mass254.13
IUPAC Name[(2R)-2-propan-2-ylpentyl]sulfonylbenzene
SMILESCCC[C@@H](CS(=O)(=O)c1ccccc1)C(C)C
InChIInChI=1S/C14H22O2S/c1-4-8-13(12(2)3)11-17(15,16)14-9-6-5-7-10-14/h5-7,9-10,12-13H,4,8,11H2,1-3H3/t13-/m0/s1
InChIKeyVYFCHJNIQMERNZ-ZDUSSCGKSA-N
XLogP3.53
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.39
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(benzenesulfonyl)propan-2-amine
CID 62917209
(2S)-1-(benzenesulfonyl)propan-2-ol
CID 11127286
4-(benzenesulfonyl)-3-methylbutan-1-ol
CID 13358237
4-(benzenesulfonyl)-3-methylbutan-1-amine
CID 115036309
3-(benzenesulfonyl)-2-methylpropan-1-ol
CID 13480680
3-(benzenesulfonyl)-2-methylpropan-1-amine
CID 64698178
[(4S)-4-methyloctadecyl]sulfonylbenzene
CID 10645166
(2S,3S)-1-(benzenesulfonyl)-2-butylsulfanylhexan-3-ol
CID 71377654
ethyl 6-(benzenesulfonyl)-5-(benzenesulfonylmethyl)-2-methylhexanoate
CID 101223009
2,2-diethoxyethylsulfonylbenzene
CID 11436831
N-methyl-N-pentan-2-ylbenzenesulfonamide
CID 60763176
pentan-2-yl benzenesulfonate
CID 89440209

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-propan-2-ylpentyl]sulfonylbenzene?
The IUPAC name of [(2R)-2-propan-2-ylpentyl]sulfonylbenzene (CID 139881589) is [(2R)-2-propan-2-ylpentyl]sulfonylbenzene.
What is the SMILES notation for [(2R)-2-propan-2-ylpentyl]sulfonylbenzene?
The canonical SMILES for [(2R)-2-propan-2-ylpentyl]sulfonylbenzene is CCC[C@@H](CS(=O)(=O)c1ccccc1)C(C)C.
What is the InChIKey of [(2R)-2-propan-2-ylpentyl]sulfonylbenzene?
The InChIKey is VYFCHJNIQMERNZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H22O2S/c1-4-8-13(12(2)3)11-17(15,16)14-9-6-5-7-10-14/h5-7,9-10,12-13H,4,8,11H2,1-3H3/t13-/m0/s1.
What are the key properties of [(2R)-2-propan-2-ylpentyl]sulfonylbenzene?
[(2R)-2-propan-2-ylpentyl]sulfonylbenzene has a molecular weight of 254.39 g/mol, XLogP of 3.53, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-propan-2-ylpentyl]sulfonylbenzene is sourced from PubChem (CID 139881589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).