N-[[(6R)-4-[(2-butyl-1H-imidazol-5-yl)methyl]-6-hydroxy-1,4-oxazepan-6-yl]methyl]methanesulfonamide

C15H28N4O4S — CID 125019181

IUPACN-[[(6R)-4-[(2-butyl-1H-imidazol-5-yl)methyl]-6-hydroxy-1,4-oxazepan-6-yl]methyl]methanesulfonamide
SMILESCCCCc1ncc(CN2CCOC[C@](O)(CNS(C)(=O)=O)C2)[nH]1
InChIInChI=1S/C15H28N4O4S/c1-3-4-5-14-16-8-13(18-14)9-19-6-7-23-12-15(20,11-19)10-17-24(2,21)22/h8,17,20H,3-7,9-12H2,1-2H3,(H,16,18)/t15-/m0/s1
InChIKeyXUDFSGYVKPSIRV-HNNXBMFYSA-N
MW360.48 g/mol
LogP-0.14
Rot. Bonds8

About N-[[(6R)-4-[(2-butyl-1H-imidazol-5-yl)methyl]-6-hydroxy-1,4-oxazepan-6-yl]methyl]methanesulfonamide

N-[[(6R)-4-[(2-butyl-1H-imidazol-5-yl)methyl]-6-hydroxy-1,4-oxazepan-6-yl]methyl]methanesulfonamide (PubChem CID 125019181) has the molecular formula C15H28N4O4S and a molecular weight of 360.48 g/mol. Its IUPAC name is N-[[(6R)-4-[(2-butyl-1H-imidazol-5-yl)methyl]-6-hydroxy-1,4-oxazepan-6-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[(6R)-4-[(2-butyl-1H-imidazol-5-yl)methyl]-6-hydroxy-1,4-oxazepan-6-yl]methyl]methanesulfonamide
PubChem CID125019181
Molecular FormulaC15H28N4O4S
Molecular Weight360.48 g/mol
Exact Mass360.18
IUPAC NameN-[[(6R)-4-[(2-butyl-1H-imidazol-5-yl)methyl]-6-hydroxy-1,4-oxazepan-6-yl]methyl]methanesulfonamide
SMILESCCCCc1ncc(CN2CCOC[C@](O)(CNS(C)(=O)=O)C2)[nH]1
InChIInChI=1S/C15H28N4O4S/c1-3-4-5-14-16-8-13(18-14)9-19-6-7-23-12-15(20,11-19)10-17-24(2,21)22/h8,17,20H,3-7,9-12H2,1-2H3,(H,16,18)/t15-/m0/s1
InChIKeyXUDFSGYVKPSIRV-HNNXBMFYSA-N
XLogP-0.14
TPSA107.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

1-(benzenesulfonyl)-4-[(2-butyl-1H-imidazol-5-yl)methyl]piperazine
CID 56906121
(3S)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-3-prop-2-enylpiperidine-3-carboxylic acid
CID 97136190
(5S,6S)-9-[(2-butyl-1H-imidazol-5-yl)methyl]-6-methoxy-1-oxa-9-azaspiro[4.5]decane
CID 110156456
2-[4-[(2-butyl-1H-imidazol-5-yl)methyl]morpholin-2-yl]ethanamine;dihydrochloride
CID 154908850
1-[(3R,4S)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-4-hydroxypyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
CID 134702064
[(3R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol
CID 25274405
(4R,5S)-7-[(2-butyl-1H-imidazol-5-yl)methyl]-4-methoxy-7-azaspiro[4.5]decane
CID 165427310
4-[(2R)-4-[(2-butyl-1H-imidazol-5-yl)methyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one
CID 137030463
(3aS,6aR)-5-[(2-butyl-1H-imidazol-5-yl)methyl]-3-oxo-2,3a,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-6a-carboxylic acid
CID 56885703
N-[[(6S)-4-(2-amino-2-methylpropanoyl)-6-hydroxy-1,4-oxazepan-6-yl]methyl]methanesulfonamide
CID 124956060
1-[4-[[4-[(2-butyl-1H-imidazol-5-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperazin-1-yl]ethanone
CID 118758853
2-butyl-5-propyl-1H-imidazole
CID 68810469

Frequently Asked Questions

What is the IUPAC name of N-[[(6R)-4-[(2-butyl-1H-imidazol-5-yl)methyl]-6-hydroxy-1,4-oxazepan-6-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[(6R)-4-[(2-butyl-1H-imidazol-5-yl)methyl]-6-hydroxy-1,4-oxazepan-6-yl]methyl]methanesulfonamide (CID 125019181) is N-[[(6R)-4-[(2-butyl-1H-imidazol-5-yl)methyl]-6-hydroxy-1,4-oxazepan-6-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[(6R)-4-[(2-butyl-1H-imidazol-5-yl)methyl]-6-hydroxy-1,4-oxazepan-6-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[(6R)-4-[(2-butyl-1H-imidazol-5-yl)methyl]-6-hydroxy-1,4-oxazepan-6-yl]methyl]methanesulfonamide is CCCCc1ncc(CN2CCOC[C@](O)(CNS(C)(=O)=O)C2)[nH]1.
What is the InChIKey of N-[[(6R)-4-[(2-butyl-1H-imidazol-5-yl)methyl]-6-hydroxy-1,4-oxazepan-6-yl]methyl]methanesulfonamide?
The InChIKey is XUDFSGYVKPSIRV-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H28N4O4S/c1-3-4-5-14-16-8-13(18-14)9-19-6-7-23-12-15(20,11-19)10-17-24(2,21)22/h8,17,20H,3-7,9-12H2,1-2H3,(H,16,18)/t15-/m0/s1.
What are the key properties of N-[[(6R)-4-[(2-butyl-1H-imidazol-5-yl)methyl]-6-hydroxy-1,4-oxazepan-6-yl]methyl]methanesulfonamide?
N-[[(6R)-4-[(2-butyl-1H-imidazol-5-yl)methyl]-6-hydroxy-1,4-oxazepan-6-yl]methyl]methanesulfonamide has a molecular weight of 360.48 g/mol, XLogP of -0.14, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(6R)-4-[(2-butyl-1H-imidazol-5-yl)methyl]-6-hydroxy-1,4-oxazepan-6-yl]methyl]methanesulfonamide is sourced from PubChem (CID 125019181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).