1-[(2R)-1-butylsulfonylpropan-2-yl]-3-(cyclopropylmethoxy)benzene

C17H26O3S — CID 58218504

IUPAC1-[(2R)-1-butylsulfonylpropan-2-yl]-3-(cyclopropylmethoxy)benzene
SMILESCCCCS(=O)(=O)C[C@H](C)c1cccc(OCC2CC2)c1
InChIInChI=1S/C17H26O3S/c1-3-4-10-21(18,19)13-14(2)16-6-5-7-17(11-16)20-12-15-8-9-15/h5-7,11,14-15H,3-4,8-10,12-13H2,1-2H3/t14-/m0/s1
InChIKeyIRSNPBKDSFBCBJ-AWEZNQCLSA-N
MW310.46 g/mol
LogP3.79
Rot. Bonds9

About 1-[(2R)-1-butylsulfonylpropan-2-yl]-3-(cyclopropylmethoxy)benzene

1-[(2R)-1-butylsulfonylpropan-2-yl]-3-(cyclopropylmethoxy)benzene (PubChem CID 58218504) has the molecular formula C17H26O3S and a molecular weight of 310.46 g/mol. Its IUPAC name is 1-[(2R)-1-butylsulfonylpropan-2-yl]-3-(cyclopropylmethoxy)benzene.

Molecular Properties

Compound Name1-[(2R)-1-butylsulfonylpropan-2-yl]-3-(cyclopropylmethoxy)benzene
PubChem CID58218504
Molecular FormulaC17H26O3S
Molecular Weight310.46 g/mol
Exact Mass310.16
IUPAC Name1-[(2R)-1-butylsulfonylpropan-2-yl]-3-(cyclopropylmethoxy)benzene
SMILESCCCCS(=O)(=O)C[C@H](C)c1cccc(OCC2CC2)c1
InChIInChI=1S/C17H26O3S/c1-3-4-10-21(18,19)13-14(2)16-6-5-7-17(11-16)20-12-15-8-9-15/h5-7,11,14-15H,3-4,8-10,12-13H2,1-2H3/t14-/m0/s1
InChIKeyIRSNPBKDSFBCBJ-AWEZNQCLSA-N
XLogP3.79
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(2R)-1-butylsulfonylpropan-2-yl]-3-(cyclopropylmethoxy)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[5-[(2R)-2-[3-(cyclopropylmethoxy)phenyl]propyl]sulfonylpentyl]pyrimidine-2,4-dione
CID 58218164
1-(2-cyclopropylethoxy)-3-[(2R)-1-[3-(2,2-dimethylpropoxy)propylsulfonyl]propan-2-yl]benzene
CID 158308850
(2R)-2-[3-(cyclopropylmethoxy)phenyl]propan-1-amine
CID 143948375
3-[3-(cyclopropylmethoxy)phenyl]butanal
CID 117311168
1-[(E)-5-[(2R)-2-[3-(cyclopropylmethoxy)phenyl]propyl]sulfonylpent-2-enyl]-1,3-diazinane-2,4-dione
CID 149387417
1-[3-[2-[3-(cyclopropylmethoxy)phenyl]-3-methylbutyl]sulfonylpropoxymethyl]pyrimidine-2,4-dione
CID 58218460
4-(1-butylsulfonylbutan-2-yl)-2-(cyclopropylmethoxy)-1-fluorobenzene
CID 58218476
N-[(1R)-1-[3-(cyclopropylmethoxy)phenyl]ethyl]but-3-ene-1-sulfonamide
CID 135204065
(1R)-1-[3-(cyclopropylmethoxy)phenyl]propan-1-amine;hydrochloride
CID 70655533
6-[3-[(2R)-2-[3-(cyclopropylmethoxy)-5-fluorophenyl]propyl]sulfonylpropyl]-6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazole-1,3-dione
CID 159747029
N-[1-[3-(cyclopropylmethoxy)phenyl]cyclopropyl]pentane-1-sulfonamide
CID 155370193
N-[(1R)-1-[3-(cyclopropylmethoxy)phenyl]propyl]but-3-ene-1-sulfonamide
CID 134541356

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1-butylsulfonylpropan-2-yl]-3-(cyclopropylmethoxy)benzene?
The IUPAC name of 1-[(2R)-1-butylsulfonylpropan-2-yl]-3-(cyclopropylmethoxy)benzene (CID 58218504) is 1-[(2R)-1-butylsulfonylpropan-2-yl]-3-(cyclopropylmethoxy)benzene.
What is the SMILES notation for 1-[(2R)-1-butylsulfonylpropan-2-yl]-3-(cyclopropylmethoxy)benzene?
The canonical SMILES for 1-[(2R)-1-butylsulfonylpropan-2-yl]-3-(cyclopropylmethoxy)benzene is CCCCS(=O)(=O)C[C@H](C)c1cccc(OCC2CC2)c1.
What is the InChIKey of 1-[(2R)-1-butylsulfonylpropan-2-yl]-3-(cyclopropylmethoxy)benzene?
The InChIKey is IRSNPBKDSFBCBJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H26O3S/c1-3-4-10-21(18,19)13-14(2)16-6-5-7-17(11-16)20-12-15-8-9-15/h5-7,11,14-15H,3-4,8-10,12-13H2,1-2H3/t14-/m0/s1.
What are the key properties of 1-[(2R)-1-butylsulfonylpropan-2-yl]-3-(cyclopropylmethoxy)benzene?
1-[(2R)-1-butylsulfonylpropan-2-yl]-3-(cyclopropylmethoxy)benzene has a molecular weight of 310.46 g/mol, XLogP of 3.79, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-1-butylsulfonylpropan-2-yl]-3-(cyclopropylmethoxy)benzene is sourced from PubChem (CID 58218504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).