(1S,2R)-N-(5-hydroxy-2,2-dimethylpentyl)-1-methoxy-2,3-dihydro-1H-indene-2-sulfonamide

C17H27NO4S — CID 126823655

IUPAC(1S,2R)-N-(5-hydroxy-2,2-dimethylpentyl)-1-methoxy-2,3-dihydro-1H-indene-2-sulfonamide
SMILESCO[C@H]1c2ccccc2C[C@H]1S(=O)(=O)NCC(C)(C)CCCO
InChIInChI=1S/C17H27NO4S/c1-17(2,9-6-10-19)12-18-23(20,21)15-11-13-7-4-5-8-14(13)16(15)22-3/h4-5,7-8,15-16,18-19H,6,9-12H2,1-3H3/t15-,16+/m1/s1
InChIKeyFMOBIVGOPRHVML-CVEARBPZSA-N
MW341.47 g/mol
LogP2.02
Rot. Bonds8

About (1S,2R)-N-(5-hydroxy-2,2-dimethylpentyl)-1-methoxy-2,3-dihydro-1H-indene-2-sulfonamide

(1S,2R)-N-(5-hydroxy-2,2-dimethylpentyl)-1-methoxy-2,3-dihydro-1H-indene-2-sulfonamide (PubChem CID 126823655) has the molecular formula C17H27NO4S and a molecular weight of 341.47 g/mol. Its IUPAC name is (1S,2R)-N-(5-hydroxy-2,2-dimethylpentyl)-1-methoxy-2,3-dihydro-1H-indene-2-sulfonamide.

Molecular Properties

Compound Name(1S,2R)-N-(5-hydroxy-2,2-dimethylpentyl)-1-methoxy-2,3-dihydro-1H-indene-2-sulfonamide
PubChem CID126823655
Molecular FormulaC17H27NO4S
Molecular Weight341.47 g/mol
Exact Mass341.17
IUPAC Name(1S,2R)-N-(5-hydroxy-2,2-dimethylpentyl)-1-methoxy-2,3-dihydro-1H-indene-2-sulfonamide
SMILESCO[C@H]1c2ccccc2C[C@H]1S(=O)(=O)NCC(C)(C)CCCO
InChIInChI=1S/C17H27NO4S/c1-17(2,9-6-10-19)12-18-23(20,21)15-11-13-7-4-5-8-14(13)16(15)22-3/h4-5,7-8,15-16,18-19H,6,9-12H2,1-3H3/t15-,16+/m1/s1
InChIKeyFMOBIVGOPRHVML-CVEARBPZSA-N
XLogP2.02
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.47
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S,2R)-N-(5-hydroxy-2,2-dimethylpentyl)-1-methoxy-2,3-dihydro-1H-indene-2-sulfonamide?
The IUPAC name of (1S,2R)-N-(5-hydroxy-2,2-dimethylpentyl)-1-methoxy-2,3-dihydro-1H-indene-2-sulfonamide (CID 126823655) is (1S,2R)-N-(5-hydroxy-2,2-dimethylpentyl)-1-methoxy-2,3-dihydro-1H-indene-2-sulfonamide.
What is the SMILES notation for (1S,2R)-N-(5-hydroxy-2,2-dimethylpentyl)-1-methoxy-2,3-dihydro-1H-indene-2-sulfonamide?
The canonical SMILES for (1S,2R)-N-(5-hydroxy-2,2-dimethylpentyl)-1-methoxy-2,3-dihydro-1H-indene-2-sulfonamide is CO[C@H]1c2ccccc2C[C@H]1S(=O)(=O)NCC(C)(C)CCCO.
What is the InChIKey of (1S,2R)-N-(5-hydroxy-2,2-dimethylpentyl)-1-methoxy-2,3-dihydro-1H-indene-2-sulfonamide?
The InChIKey is FMOBIVGOPRHVML-CVEARBPZSA-N. The full InChI is InChI=1S/C17H27NO4S/c1-17(2,9-6-10-19)12-18-23(20,21)15-11-13-7-4-5-8-14(13)16(15)22-3/h4-5,7-8,15-16,18-19H,6,9-12H2,1-3H3/t15-,16+/m1/s1.
What are the key properties of (1S,2R)-N-(5-hydroxy-2,2-dimethylpentyl)-1-methoxy-2,3-dihydro-1H-indene-2-sulfonamide?
(1S,2R)-N-(5-hydroxy-2,2-dimethylpentyl)-1-methoxy-2,3-dihydro-1H-indene-2-sulfonamide has a molecular weight of 341.47 g/mol, XLogP of 2.02, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-N-(5-hydroxy-2,2-dimethylpentyl)-1-methoxy-2,3-dihydro-1H-indene-2-sulfonamide is sourced from PubChem (CID 126823655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).