(4S)-4-[(1-benzylsulfonylcyclopropyl)methyl]-2,2-dimethyl-1,3-dioxolane

C16H22O4S — CID 157116282

IUPAC(4S)-4-[(1-benzylsulfonylcyclopropyl)methyl]-2,2-dimethyl-1,3-dioxolane
SMILESCC1(C)OC[C@H](CC2(S(=O)(=O)Cc3ccccc3)CC2)O1
InChIInChI=1S/C16H22O4S/c1-15(2)19-11-14(20-15)10-16(8-9-16)21(17,18)12-13-6-4-3-5-7-13/h3-7,14H,8-12H2,1-2H3/t14-/m0/s1
InChIKeyAHLBVRKEORBIHS-AWEZNQCLSA-N
MW310.41 g/mol
LogP2.68
Rot. Bonds5

About (4S)-4-[(1-benzylsulfonylcyclopropyl)methyl]-2,2-dimethyl-1,3-dioxolane

(4S)-4-[(1-benzylsulfonylcyclopropyl)methyl]-2,2-dimethyl-1,3-dioxolane (PubChem CID 157116282) has the molecular formula C16H22O4S and a molecular weight of 310.41 g/mol. Its IUPAC name is (4S)-4-[(1-benzylsulfonylcyclopropyl)methyl]-2,2-dimethyl-1,3-dioxolane.

Molecular Properties

Compound Name(4S)-4-[(1-benzylsulfonylcyclopropyl)methyl]-2,2-dimethyl-1,3-dioxolane
PubChem CID157116282
Molecular FormulaC16H22O4S
Molecular Weight310.41 g/mol
Exact Mass310.12
IUPAC Name(4S)-4-[(1-benzylsulfonylcyclopropyl)methyl]-2,2-dimethyl-1,3-dioxolane
SMILESCC1(C)OC[C@H](CC2(S(=O)(=O)Cc3ccccc3)CC2)O1
InChIInChI=1S/C16H22O4S/c1-15(2)19-11-14(20-15)10-16(8-9-16)21(17,18)12-13-6-4-3-5-7-13/h3-7,14H,8-12H2,1-2H3/t14-/m0/s1
InChIKeyAHLBVRKEORBIHS-AWEZNQCLSA-N
XLogP2.68
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.41
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4S)-4-[(1-benzylsulfonylcyclopropyl)methyl]-2,2-dimethyl-1,3-dioxolane with MolForge

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Related Compounds

1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]cyclopropane-1-sulfonyl bromide
CID 89253259
1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclopropane-1-sulfonic acid
CID 71616121
(4S)-4-benzyl-2,2-dimethyl-1,3-dioxolane
CID 14271784
N-benzyl-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-N-oxidomethanamine
CID 100917658
4-[[(2S)-4-(benzenesulfonylmethyl)oxolan-2-yl]methyl]-2,2-dimethyl-1,3-dioxolane
CID 146294531
2,2-dimethyl-4-[2-(4-phenylphenyl)ethyl]-1,3-dioxolane
CID 177308908
(2R)-N,N-dibenzyl-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpropan-1-amine
CID 155444946
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylbenzenesulfonamide
CID 107389989
1-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-4-phenylpiperazine
CID 92974402
2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl-triphenylphosphanium bromide
CID 11059758
(4S)-4-[(1-iodocyclopropyl)methyl]-2,2-dimethyl-1,3-dioxolane
CID 66849166
(2R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-phenylmethoxypropan-2-ol
CID 10869218

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(1-benzylsulfonylcyclopropyl)methyl]-2,2-dimethyl-1,3-dioxolane?
The IUPAC name of (4S)-4-[(1-benzylsulfonylcyclopropyl)methyl]-2,2-dimethyl-1,3-dioxolane (CID 157116282) is (4S)-4-[(1-benzylsulfonylcyclopropyl)methyl]-2,2-dimethyl-1,3-dioxolane.
What is the SMILES notation for (4S)-4-[(1-benzylsulfonylcyclopropyl)methyl]-2,2-dimethyl-1,3-dioxolane?
The canonical SMILES for (4S)-4-[(1-benzylsulfonylcyclopropyl)methyl]-2,2-dimethyl-1,3-dioxolane is CC1(C)OC[C@H](CC2(S(=O)(=O)Cc3ccccc3)CC2)O1.
What is the InChIKey of (4S)-4-[(1-benzylsulfonylcyclopropyl)methyl]-2,2-dimethyl-1,3-dioxolane?
The InChIKey is AHLBVRKEORBIHS-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H22O4S/c1-15(2)19-11-14(20-15)10-16(8-9-16)21(17,18)12-13-6-4-3-5-7-13/h3-7,14H,8-12H2,1-2H3/t14-/m0/s1.
What are the key properties of (4S)-4-[(1-benzylsulfonylcyclopropyl)methyl]-2,2-dimethyl-1,3-dioxolane?
(4S)-4-[(1-benzylsulfonylcyclopropyl)methyl]-2,2-dimethyl-1,3-dioxolane has a molecular weight of 310.41 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(1-benzylsulfonylcyclopropyl)methyl]-2,2-dimethyl-1,3-dioxolane is sourced from PubChem (CID 157116282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).