(6R)-1-acetyl-N-methyl-4-morpholin-4-ylsulfonyl-1,4-diazepane-6-carboxamide

C13H24N4O5S — CID 124983384

IUPAC(6R)-1-acetyl-N-methyl-4-morpholin-4-ylsulfonyl-1,4-diazepane-6-carboxamide
SMILESCNC(=O)[C@@H]1CN(C(C)=O)CCN(S(=O)(=O)N2CCOCC2)C1
InChIInChI=1S/C13H24N4O5S/c1-11(18)15-3-4-17(10-12(9-15)13(19)14-2)23(20,21)16-5-7-22-8-6-16/h12H,3-10H2,1-2H3,(H,14,19)/t12-/m1/s1
InChIKeyNDJRVQKMGUGWSX-GFCCVEGCSA-N
MW348.43 g/mol
LogP-1.91
Rot. Bonds3

About (6R)-1-acetyl-N-methyl-4-morpholin-4-ylsulfonyl-1,4-diazepane-6-carboxamide

(6R)-1-acetyl-N-methyl-4-morpholin-4-ylsulfonyl-1,4-diazepane-6-carboxamide (PubChem CID 124983384) has the molecular formula C13H24N4O5S and a molecular weight of 348.43 g/mol. Its IUPAC name is (6R)-1-acetyl-N-methyl-4-morpholin-4-ylsulfonyl-1,4-diazepane-6-carboxamide.

Molecular Properties

Compound Name(6R)-1-acetyl-N-methyl-4-morpholin-4-ylsulfonyl-1,4-diazepane-6-carboxamide
PubChem CID124983384
Molecular FormulaC13H24N4O5S
Molecular Weight348.43 g/mol
Exact Mass348.15
IUPAC Name(6R)-1-acetyl-N-methyl-4-morpholin-4-ylsulfonyl-1,4-diazepane-6-carboxamide
SMILESCNC(=O)[C@@H]1CN(C(C)=O)CCN(S(=O)(=O)N2CCOCC2)C1
InChIInChI=1S/C13H24N4O5S/c1-11(18)15-3-4-17(10-12(9-15)13(19)14-2)23(20,21)16-5-7-22-8-6-16/h12H,3-10H2,1-2H3,(H,14,19)/t12-/m1/s1
InChIKeyNDJRVQKMGUGWSX-GFCCVEGCSA-N
XLogP-1.91
TPSA99.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 5-1.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6R)-1-acetyl-N-methyl-4-morpholin-4-ylsulfonyl-1,4-diazepane-6-carboxamide?
The IUPAC name of (6R)-1-acetyl-N-methyl-4-morpholin-4-ylsulfonyl-1,4-diazepane-6-carboxamide (CID 124983384) is (6R)-1-acetyl-N-methyl-4-morpholin-4-ylsulfonyl-1,4-diazepane-6-carboxamide.
What is the SMILES notation for (6R)-1-acetyl-N-methyl-4-morpholin-4-ylsulfonyl-1,4-diazepane-6-carboxamide?
The canonical SMILES for (6R)-1-acetyl-N-methyl-4-morpholin-4-ylsulfonyl-1,4-diazepane-6-carboxamide is CNC(=O)[C@@H]1CN(C(C)=O)CCN(S(=O)(=O)N2CCOCC2)C1.
What is the InChIKey of (6R)-1-acetyl-N-methyl-4-morpholin-4-ylsulfonyl-1,4-diazepane-6-carboxamide?
The InChIKey is NDJRVQKMGUGWSX-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H24N4O5S/c1-11(18)15-3-4-17(10-12(9-15)13(19)14-2)23(20,21)16-5-7-22-8-6-16/h12H,3-10H2,1-2H3,(H,14,19)/t12-/m1/s1.
What are the key properties of (6R)-1-acetyl-N-methyl-4-morpholin-4-ylsulfonyl-1,4-diazepane-6-carboxamide?
(6R)-1-acetyl-N-methyl-4-morpholin-4-ylsulfonyl-1,4-diazepane-6-carboxamide has a molecular weight of 348.43 g/mol, XLogP of -1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-1-acetyl-N-methyl-4-morpholin-4-ylsulfonyl-1,4-diazepane-6-carboxamide is sourced from PubChem (CID 124983384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).