1-cyclohexyl-N-[(1R)-4-methoxy-2,3-dihydro-1H-inden-1-yl]methanesulfonamide

C17H25NO3S — CID 99631969

IUPAC1-cyclohexyl-N-[(1R)-4-methoxy-2,3-dihydro-1H-inden-1-yl]methanesulfonamide
SMILESCOc1cccc2c1CC[C@H]2NS(=O)(=O)CC1CCCCC1
InChIInChI=1S/C17H25NO3S/c1-21-17-9-5-8-14-15(17)10-11-16(14)18-22(19,20)12-13-6-3-2-4-7-13/h5,8-9,13,16,18H,2-4,6-7,10-12H2,1H3/t16-/m1/s1
InChIKeyDTVGNNDOODRHCO-MRXNPFEDSA-N
MW323.46 g/mol
LogP3.18
Rot. Bonds5

About 1-cyclohexyl-N-[(1R)-4-methoxy-2,3-dihydro-1H-inden-1-yl]methanesulfonamide

1-cyclohexyl-N-[(1R)-4-methoxy-2,3-dihydro-1H-inden-1-yl]methanesulfonamide (PubChem CID 99631969) has the molecular formula C17H25NO3S and a molecular weight of 323.46 g/mol. Its IUPAC name is 1-cyclohexyl-N-[(1R)-4-methoxy-2,3-dihydro-1H-inden-1-yl]methanesulfonamide.

Molecular Properties

Compound Name1-cyclohexyl-N-[(1R)-4-methoxy-2,3-dihydro-1H-inden-1-yl]methanesulfonamide
PubChem CID99631969
Molecular FormulaC17H25NO3S
Molecular Weight323.46 g/mol
Exact Mass323.16
IUPAC Name1-cyclohexyl-N-[(1R)-4-methoxy-2,3-dihydro-1H-inden-1-yl]methanesulfonamide
SMILESCOc1cccc2c1CC[C@H]2NS(=O)(=O)CC1CCCCC1
InChIInChI=1S/C17H25NO3S/c1-21-17-9-5-8-14-15(17)10-11-16(14)18-22(19,20)12-13-6-3-2-4-7-13/h5,8-9,13,16,18H,2-4,6-7,10-12H2,1H3/t16-/m1/s1
InChIKeyDTVGNNDOODRHCO-MRXNPFEDSA-N
XLogP3.18
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-cyclohexyl-N-[(1R)-4-methoxy-2,3-dihydro-1H-inden-1-yl]methanesulfonamide with MolForge

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Related Compounds

N-ethyl-4-methoxy-2,3-dihydro-1H-inden-1-amine
CID 61383418
N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-1-methylpyrazole-4-sulfonamide
CID 154738926
N-(4-ethoxy-2,3-dihydro-1H-inden-1-yl)-3-fluoropropane-1-sulfonamide
CID 71976660
3-amino-N-[(1S)-4-methoxy-2,3-dihydro-1H-inden-1-yl]-5-methyl-1,2-oxazole-4-sulfonamide
CID 164636562
1-amino-N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)cyclohexane-1-carboxamide
CID 119317483
N-cyclopropyl-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 83910112
(2S)-2-amino-N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)propanamide
CID 119317459
N-(4-amino-2-methoxyphenyl)-1-cyclohexylmethanesulfonamide
CID 61453809
N-[2-(4-cyclohexylpiperazin-1-yl)ethyl]-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 51003104
6-tert-butylsulfonyl-N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)pyridin-3-amine
CID 133361710
1-cyclopropyl-N-(2-hydroxy-6-methoxyphenyl)methanesulfonamide
CID 114764767
N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)propane-1-sulfonamide
CID 110399728

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[(1R)-4-methoxy-2,3-dihydro-1H-inden-1-yl]methanesulfonamide?
The IUPAC name of 1-cyclohexyl-N-[(1R)-4-methoxy-2,3-dihydro-1H-inden-1-yl]methanesulfonamide (CID 99631969) is 1-cyclohexyl-N-[(1R)-4-methoxy-2,3-dihydro-1H-inden-1-yl]methanesulfonamide.
What is the SMILES notation for 1-cyclohexyl-N-[(1R)-4-methoxy-2,3-dihydro-1H-inden-1-yl]methanesulfonamide?
The canonical SMILES for 1-cyclohexyl-N-[(1R)-4-methoxy-2,3-dihydro-1H-inden-1-yl]methanesulfonamide is COc1cccc2c1CC[C@H]2NS(=O)(=O)CC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-[(1R)-4-methoxy-2,3-dihydro-1H-inden-1-yl]methanesulfonamide?
The InChIKey is DTVGNNDOODRHCO-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H25NO3S/c1-21-17-9-5-8-14-15(17)10-11-16(14)18-22(19,20)12-13-6-3-2-4-7-13/h5,8-9,13,16,18H,2-4,6-7,10-12H2,1H3/t16-/m1/s1.
What are the key properties of 1-cyclohexyl-N-[(1R)-4-methoxy-2,3-dihydro-1H-inden-1-yl]methanesulfonamide?
1-cyclohexyl-N-[(1R)-4-methoxy-2,3-dihydro-1H-inden-1-yl]methanesulfonamide has a molecular weight of 323.46 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[(1R)-4-methoxy-2,3-dihydro-1H-inden-1-yl]methanesulfonamide is sourced from PubChem (CID 99631969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).