N-[[(6S)-4-(2-amino-2-methylpropanoyl)-6-hydroxy-1,4-oxazepan-6-yl]methyl]methanesulfonamide

C11H23N3O5S — CID 124956060

IUPACN-[[(6S)-4-(2-amino-2-methylpropanoyl)-6-hydroxy-1,4-oxazepan-6-yl]methyl]methanesulfonamide
SMILESCC(C)(N)C(=O)N1CCOC[C@@](O)(CNS(C)(=O)=O)C1
InChIInChI=1S/C11H23N3O5S/c1-10(2,12)9(15)14-4-5-19-8-11(16,7-14)6-13-20(3,17)18/h13,16H,4-8,12H2,1-3H3/t11-/m1/s1
InChIKeyFOPAYLMFVKTLDK-LLVKDONJSA-N
MW309.39 g/mol
LogP-2.14
Rot. Bonds4

About N-[[(6S)-4-(2-amino-2-methylpropanoyl)-6-hydroxy-1,4-oxazepan-6-yl]methyl]methanesulfonamide

N-[[(6S)-4-(2-amino-2-methylpropanoyl)-6-hydroxy-1,4-oxazepan-6-yl]methyl]methanesulfonamide (PubChem CID 124956060) has the molecular formula C11H23N3O5S and a molecular weight of 309.39 g/mol. Its IUPAC name is N-[[(6S)-4-(2-amino-2-methylpropanoyl)-6-hydroxy-1,4-oxazepan-6-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[(6S)-4-(2-amino-2-methylpropanoyl)-6-hydroxy-1,4-oxazepan-6-yl]methyl]methanesulfonamide
PubChem CID124956060
Molecular FormulaC11H23N3O5S
Molecular Weight309.39 g/mol
Exact Mass309.14
IUPAC NameN-[[(6S)-4-(2-amino-2-methylpropanoyl)-6-hydroxy-1,4-oxazepan-6-yl]methyl]methanesulfonamide
SMILESCC(C)(N)C(=O)N1CCOC[C@@](O)(CNS(C)(=O)=O)C1
InChIInChI=1S/C11H23N3O5S/c1-10(2,12)9(15)14-4-5-19-8-11(16,7-14)6-13-20(3,17)18/h13,16H,4-8,12H2,1-3H3/t11-/m1/s1
InChIKeyFOPAYLMFVKTLDK-LLVKDONJSA-N
XLogP-2.14
TPSA121.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 5-2.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[[(6S)-4-(2-amino-2-methylpropanoyl)-6-hydroxy-1,4-oxazepan-6-yl]methyl]methanesulfonamide with MolForge

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Related Compounds

N-[(3-hydroxyoxolan-3-yl)methyl]morpholine-4-sulfonamide
CID 103848126
N-[(4-hydroxythian-4-yl)methyl]methanesulfonamide
CID 130645691
N-[[(6R)-4-[(2-butyl-1H-imidazol-5-yl)methyl]-6-hydroxy-1,4-oxazepan-6-yl]methyl]methanesulfonamide
CID 125019181
N-[(1-hydroxycyclobutyl)methyl]methanesulfonamide
CID 115642581
N-[[4-(5-tert-butyl-1H-pyrazole-3-carbonyl)-6-hydroxy-1,4-oxazepan-6-yl]methyl]acetamide
CID 110118785
2-amino-1-[(3R)-3-ethyl-3-methylpyrrolidin-1-yl]-2-methylpropan-1-one
CID 118447158
N-[[(6R)-4-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]-6-hydroxy-1,4-oxazepan-6-yl]methyl]-1,3-thiazole-4-carboxamide
CID 124999454
N-[[(6S)-6-hydroxy-4-(1H-pyrazole-5-carbonyl)-1,4-oxazepan-6-yl]methyl]acetamide
CID 125018899
N-[[(3aS,6aR)-5-(pyrrolidine-1-carbonyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]methanesulfonamide
CID 97420574
ethyl 1-[(3-hydroxyoxolan-3-yl)methylsulfamoyl]pyrrolidine-2-carboxylate
CID 103848070
methyl 3-[(3-hydroxyoxolan-3-yl)methylsulfamoyl]thiophene-2-carboxylate
CID 103848035
3-amino-3-methyl-1-morpholin-4-ylbutan-1-one
CID 64685110

Frequently Asked Questions

What is the IUPAC name of N-[[(6S)-4-(2-amino-2-methylpropanoyl)-6-hydroxy-1,4-oxazepan-6-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[(6S)-4-(2-amino-2-methylpropanoyl)-6-hydroxy-1,4-oxazepan-6-yl]methyl]methanesulfonamide (CID 124956060) is N-[[(6S)-4-(2-amino-2-methylpropanoyl)-6-hydroxy-1,4-oxazepan-6-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[(6S)-4-(2-amino-2-methylpropanoyl)-6-hydroxy-1,4-oxazepan-6-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[(6S)-4-(2-amino-2-methylpropanoyl)-6-hydroxy-1,4-oxazepan-6-yl]methyl]methanesulfonamide is CC(C)(N)C(=O)N1CCOC[C@@](O)(CNS(C)(=O)=O)C1.
What is the InChIKey of N-[[(6S)-4-(2-amino-2-methylpropanoyl)-6-hydroxy-1,4-oxazepan-6-yl]methyl]methanesulfonamide?
The InChIKey is FOPAYLMFVKTLDK-LLVKDONJSA-N. The full InChI is InChI=1S/C11H23N3O5S/c1-10(2,12)9(15)14-4-5-19-8-11(16,7-14)6-13-20(3,17)18/h13,16H,4-8,12H2,1-3H3/t11-/m1/s1.
What are the key properties of N-[[(6S)-4-(2-amino-2-methylpropanoyl)-6-hydroxy-1,4-oxazepan-6-yl]methyl]methanesulfonamide?
N-[[(6S)-4-(2-amino-2-methylpropanoyl)-6-hydroxy-1,4-oxazepan-6-yl]methyl]methanesulfonamide has a molecular weight of 309.39 g/mol, XLogP of -2.14, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(6S)-4-(2-amino-2-methylpropanoyl)-6-hydroxy-1,4-oxazepan-6-yl]methyl]methanesulfonamide is sourced from PubChem (CID 124956060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).