N-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]azepane-1-sulfonamide

C17H26N2O4S — CID 97206285

IUPACN-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]azepane-1-sulfonamide
SMILESCOc1cccc2c1OC[C@H](CNS(=O)(=O)N1CCCCCC1)C2
InChIInChI=1S/C17H26N2O4S/c1-22-16-8-6-7-15-11-14(13-23-17(15)16)12-18-24(20,21)19-9-4-2-3-5-10-19/h6-8,14,18H,2-5,9-13H2,1H3/t14-/m0/s1
InChIKeyZAUOGWLHZXUJJB-AWEZNQCLSA-N
MW354.47 g/mol
LogP1.96
Rot. Bonds5

About N-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]azepane-1-sulfonamide

N-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]azepane-1-sulfonamide (PubChem CID 97206285) has the molecular formula C17H26N2O4S and a molecular weight of 354.47 g/mol. Its IUPAC name is N-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]azepane-1-sulfonamide.

Molecular Properties

Compound NameN-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]azepane-1-sulfonamide
PubChem CID97206285
Molecular FormulaC17H26N2O4S
Molecular Weight354.47 g/mol
Exact Mass354.16
IUPAC NameN-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]azepane-1-sulfonamide
SMILESCOc1cccc2c1OC[C@H](CNS(=O)(=O)N1CCCCCC1)C2
InChIInChI=1S/C17H26N2O4S/c1-22-16-8-6-7-15-11-14(13-23-17(15)16)12-18-24(20,21)19-9-4-2-3-5-10-19/h6-8,14,18H,2-5,9-13H2,1H3/t14-/m0/s1
InChIKeyZAUOGWLHZXUJJB-AWEZNQCLSA-N
XLogP1.96
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]piperidine-1-carboxamide
CID 72877803
N-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]butane-1-sulfonamide
CID 97206863
N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(2-oxoazepan-1-yl)propanamide
CID 97210078
[2-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methylamino]-4-pyridinyl]-piperidin-1-ylmethanone
CID 72881865
N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2,6-dimethylpyridine-4-carboxamide
CID 99929986
N-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2-phenylsulfanylacetamide
CID 97278413
N-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]ethanesulfonamide
CID 93072784
N-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 97275621
3-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-6-pyrrolidin-1-ylpyridazine
CID 72877522
1-N'-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]cyclopropane-1,1-dicarboxamide
CID 72847861
(4-cyclopropylsulfonyl-1,4-diazepan-1-yl)-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methanone
CID 126806775
[6-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 97192015

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]azepane-1-sulfonamide?
The IUPAC name of N-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]azepane-1-sulfonamide (CID 97206285) is N-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]azepane-1-sulfonamide.
What is the SMILES notation for N-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]azepane-1-sulfonamide?
The canonical SMILES for N-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]azepane-1-sulfonamide is COc1cccc2c1OC[C@H](CNS(=O)(=O)N1CCCCCC1)C2.
What is the InChIKey of N-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]azepane-1-sulfonamide?
The InChIKey is ZAUOGWLHZXUJJB-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H26N2O4S/c1-22-16-8-6-7-15-11-14(13-23-17(15)16)12-18-24(20,21)19-9-4-2-3-5-10-19/h6-8,14,18H,2-5,9-13H2,1H3/t14-/m0/s1.
What are the key properties of N-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]azepane-1-sulfonamide?
N-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]azepane-1-sulfonamide has a molecular weight of 354.47 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]azepane-1-sulfonamide is sourced from PubChem (CID 97206285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).