N-[[(2R)-4-benzyl-1,4-oxazepan-2-yl]methyl]methanesulfonamide

C14H22N2O3S — CID 124623968

IUPACN-[[(2R)-4-benzyl-1,4-oxazepan-2-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1
InChIInChI=1S/C14H22N2O3S/c1-20(17,18)15-10-14-12-16(8-5-9-19-14)11-13-6-3-2-4-7-13/h2-4,6-7,14-15H,5,8-12H2,1H3/t14-/m0/s1
InChIKeySVWOSQBAFGVUNX-AWEZNQCLSA-N
MW298.41 g/mol
LogP0.83
Rot. Bonds5

About N-[[(2R)-4-benzyl-1,4-oxazepan-2-yl]methyl]methanesulfonamide

N-[[(2R)-4-benzyl-1,4-oxazepan-2-yl]methyl]methanesulfonamide (PubChem CID 124623968) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-[[(2R)-4-benzyl-1,4-oxazepan-2-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[(2R)-4-benzyl-1,4-oxazepan-2-yl]methyl]methanesulfonamide
PubChem CID124623968
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN-[[(2R)-4-benzyl-1,4-oxazepan-2-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1
InChIInChI=1S/C14H22N2O3S/c1-20(17,18)15-10-14-12-16(8-5-9-19-14)11-13-6-3-2-4-7-13/h2-4,6-7,14-15H,5,8-12H2,1H3/t14-/m0/s1
InChIKeySVWOSQBAFGVUNX-AWEZNQCLSA-N
XLogP0.83
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 33487347
N-[(4-benzylmorpholin-2-yl)methyl]-3,4-dimethylbenzenesulfonamide
CID 18144535
N-[[(2S)-4-benzyl-1,4-oxazepan-2-yl]methyl]-2-(methylcarbamoylamino)acetamide
CID 124623954
N-[[(2S)-4-benzyl-1,4-oxazepan-2-yl]methyl]-2-cyclopropylacetamide
CID 129479095
N-[(4-benzylmorpholin-2-yl)methyl]-4-propylbenzenesulfonamide
CID 18144537
N-[[(2S)-4-benzyl-1,4-oxazepan-2-yl]methyl]-3-oxocyclobutane-1-carboxamide
CID 129402077
N-[(4-benzylmorpholin-2-yl)methyl]-3,4-dihydronaphthalene-2-sulfonamide
CID 18156495
1-(4-benzylmorpholin-2-yl)-N-iodomethanamine
CID 163437962
N-[[(2S)-4-benzyl-1,4-oxazepan-2-yl]methyl]-2-(2-methoxyphenyl)acetamide
CID 129402067
(4-benzylmorpholin-2-yl)methylcarbamic acid
CID 21104645
2-amino-3-(4-benzyl-1,4-oxazepan-2-yl)propanoic acid
CID 106491179
N-[(4-benzylmorpholin-2-yl)methyl]-2-bromo-4,5-dimethoxybenzenesulfonamide
CID 43044118

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-4-benzyl-1,4-oxazepan-2-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[(2R)-4-benzyl-1,4-oxazepan-2-yl]methyl]methanesulfonamide (CID 124623968) is N-[[(2R)-4-benzyl-1,4-oxazepan-2-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[(2R)-4-benzyl-1,4-oxazepan-2-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[(2R)-4-benzyl-1,4-oxazepan-2-yl]methyl]methanesulfonamide is CS(=O)(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1.
What is the InChIKey of N-[[(2R)-4-benzyl-1,4-oxazepan-2-yl]methyl]methanesulfonamide?
The InChIKey is SVWOSQBAFGVUNX-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-20(17,18)15-10-14-12-16(8-5-9-19-14)11-13-6-3-2-4-7-13/h2-4,6-7,14-15H,5,8-12H2,1H3/t14-/m0/s1.
What are the key properties of N-[[(2R)-4-benzyl-1,4-oxazepan-2-yl]methyl]methanesulfonamide?
N-[[(2R)-4-benzyl-1,4-oxazepan-2-yl]methyl]methanesulfonamide has a molecular weight of 298.41 g/mol, XLogP of 0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-4-benzyl-1,4-oxazepan-2-yl]methyl]methanesulfonamide is sourced from PubChem (CID 124623968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).