(6R)-1-methylsulfonyl-4-(2-morpholin-4-yl-2-oxoethyl)-1,4-diazepane-6-carboxamide

C13H24N4O5S — CID 124965285

IUPAC(6R)-1-methylsulfonyl-4-(2-morpholin-4-yl-2-oxoethyl)-1,4-diazepane-6-carboxamide
SMILESCS(=O)(=O)N1CCN(CC(=O)N2CCOCC2)C[C@@H](C(N)=O)C1
InChIInChI=1S/C13H24N4O5S/c1-23(20,21)17-3-2-15(8-11(9-17)13(14)19)10-12(18)16-4-6-22-7-5-16/h11H,2-10H2,1H3,(H2,14,19)/t11-/m1/s1
InChIKeyIDSKMZPLZUESIA-LLVKDONJSA-N
MW348.43 g/mol
LogP-2.48
Rot. Bonds4

About (6R)-1-methylsulfonyl-4-(2-morpholin-4-yl-2-oxoethyl)-1,4-diazepane-6-carboxamide

(6R)-1-methylsulfonyl-4-(2-morpholin-4-yl-2-oxoethyl)-1,4-diazepane-6-carboxamide (PubChem CID 124965285) has the molecular formula C13H24N4O5S and a molecular weight of 348.43 g/mol. Its IUPAC name is (6R)-1-methylsulfonyl-4-(2-morpholin-4-yl-2-oxoethyl)-1,4-diazepane-6-carboxamide.

Molecular Properties

Compound Name(6R)-1-methylsulfonyl-4-(2-morpholin-4-yl-2-oxoethyl)-1,4-diazepane-6-carboxamide
PubChem CID124965285
Molecular FormulaC13H24N4O5S
Molecular Weight348.43 g/mol
Exact Mass348.15
IUPAC Name(6R)-1-methylsulfonyl-4-(2-morpholin-4-yl-2-oxoethyl)-1,4-diazepane-6-carboxamide
SMILESCS(=O)(=O)N1CCN(CC(=O)N2CCOCC2)C[C@@H](C(N)=O)C1
InChIInChI=1S/C13H24N4O5S/c1-23(20,21)17-3-2-15(8-11(9-17)13(14)19)10-12(18)16-4-6-22-7-5-16/h11H,2-10H2,1H3,(H2,14,19)/t11-/m1/s1
InChIKeyIDSKMZPLZUESIA-LLVKDONJSA-N
XLogP-2.48
TPSA113.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 5-2.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(6S)-1-methylsulfonyl-4-(2-morpholin-4-ylacetyl)-1,4-diazepane-6-carboxamide
CID 125022912
(6S)-1-methylsulfonyl-4-(oxane-4-carbonyl)-1,4-diazepane-6-carboxamide
CID 124952648
1-morpholin-4-yl-2-(4-morpholin-4-ylsulfonylpiperazin-1-yl)ethanone
CID 55515697
(6S)-1-methylsulfonyl-4-(3-pyrrolidin-1-ylpropanoyl)-1,4-diazepane-6-carboxamide
CID 125014125
1-(2-methoxyacetyl)-4-methylsulfonyl-1,4-diazepane-6-carboxamide
CID 127245306
(6S)-1-benzyl-4-methylsulfonyl-1,4-diazepane-6-carboxamide
CID 125022147
1-(2-morpholin-4-yl-2-oxoethyl)pyrrolidine-3-carboxylic acid
CID 63032240
methyl 1-(2-morpholin-4-yl-2-oxoethyl)pyrrolidine-3-carboxylate
CID 112730542
1-methylsulfonyl-4-(2-phenylethyl)-1,4-diazepane-6-carboxamide
CID 155902002
1-(2-morpholin-4-yl-2-oxoethyl)piperidine-3-carboxylic acid
CID 43385913
1-[(2-methoxypyrimidin-5-yl)methyl]-4-methylsulfonyl-1,4-diazepane-6-carboxamide
CID 110098538
1-(4-methylpiperidin-1-yl)-2-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 110684423

Frequently Asked Questions

What is the IUPAC name of (6R)-1-methylsulfonyl-4-(2-morpholin-4-yl-2-oxoethyl)-1,4-diazepane-6-carboxamide?
The IUPAC name of (6R)-1-methylsulfonyl-4-(2-morpholin-4-yl-2-oxoethyl)-1,4-diazepane-6-carboxamide (CID 124965285) is (6R)-1-methylsulfonyl-4-(2-morpholin-4-yl-2-oxoethyl)-1,4-diazepane-6-carboxamide.
What is the SMILES notation for (6R)-1-methylsulfonyl-4-(2-morpholin-4-yl-2-oxoethyl)-1,4-diazepane-6-carboxamide?
The canonical SMILES for (6R)-1-methylsulfonyl-4-(2-morpholin-4-yl-2-oxoethyl)-1,4-diazepane-6-carboxamide is CS(=O)(=O)N1CCN(CC(=O)N2CCOCC2)C[C@@H](C(N)=O)C1.
What is the InChIKey of (6R)-1-methylsulfonyl-4-(2-morpholin-4-yl-2-oxoethyl)-1,4-diazepane-6-carboxamide?
The InChIKey is IDSKMZPLZUESIA-LLVKDONJSA-N. The full InChI is InChI=1S/C13H24N4O5S/c1-23(20,21)17-3-2-15(8-11(9-17)13(14)19)10-12(18)16-4-6-22-7-5-16/h11H,2-10H2,1H3,(H2,14,19)/t11-/m1/s1.
What are the key properties of (6R)-1-methylsulfonyl-4-(2-morpholin-4-yl-2-oxoethyl)-1,4-diazepane-6-carboxamide?
(6R)-1-methylsulfonyl-4-(2-morpholin-4-yl-2-oxoethyl)-1,4-diazepane-6-carboxamide has a molecular weight of 348.43 g/mol, XLogP of -2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-1-methylsulfonyl-4-(2-morpholin-4-yl-2-oxoethyl)-1,4-diazepane-6-carboxamide is sourced from PubChem (CID 124965285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).