N-[(3R)-1-(morpholine-4-carbonyl)azepan-3-yl]methanesulfonamide

C12H23N3O4S — CID 96582173

IUPACN-[(3R)-1-(morpholine-4-carbonyl)azepan-3-yl]methanesulfonamide
SMILESCS(=O)(=O)N[C@@H]1CCCCN(C(=O)N2CCOCC2)C1
InChIInChI=1S/C12H23N3O4S/c1-20(17,18)13-11-4-2-3-5-15(10-11)12(16)14-6-8-19-9-7-14/h11,13H,2-10H2,1H3/t11-/m1/s1
InChIKeySZZWGGROLQMGKK-LLVKDONJSA-N
MW305.40 g/mol
LogP-0.16
Rot. Bonds2

About N-[(3R)-1-(morpholine-4-carbonyl)azepan-3-yl]methanesulfonamide

N-[(3R)-1-(morpholine-4-carbonyl)azepan-3-yl]methanesulfonamide (PubChem CID 96582173) has the molecular formula C12H23N3O4S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-[(3R)-1-(morpholine-4-carbonyl)azepan-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(3R)-1-(morpholine-4-carbonyl)azepan-3-yl]methanesulfonamide
PubChem CID96582173
Molecular FormulaC12H23N3O4S
Molecular Weight305.40 g/mol
Exact Mass305.14
IUPAC NameN-[(3R)-1-(morpholine-4-carbonyl)azepan-3-yl]methanesulfonamide
SMILESCS(=O)(=O)N[C@@H]1CCCCN(C(=O)N2CCOCC2)C1
InChIInChI=1S/C12H23N3O4S/c1-20(17,18)13-11-4-2-3-5-15(10-11)12(16)14-6-8-19-9-7-14/h11,13H,2-10H2,1H3/t11-/m1/s1
InChIKeySZZWGGROLQMGKK-LLVKDONJSA-N
XLogP-0.16
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-cyclopentyl-1-(morpholine-4-carbonyl)piperidine-3-sulfonamide
CID 97348314
N-[1-(2,2,2-trifluoroacetyl)piperidin-3-yl]methanesulfonamide
CID 62490631
N-[(3S)-1-(7-fluorobicyclo[4.1.0]heptane-7-carbonyl)piperidin-3-yl]methanesulfonamide
CID 166310642
N-[1-(imidazole-1-carbonyl)piperidin-3-yl]methanesulfonamide
CID 113225834
N-[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methanesulfonamide
CID 95051787
N-[(1R)-1-cyclopentyl-2-[(3S)-3-(methanesulfonamido)piperidin-1-yl]-2-oxoethyl]acetamide
CID 95133490
(3R)-N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(methanesulfonamido)piperidine-1-carboxamide
CID 95126760
3-(methanesulfonamido)-N-(4-methylcyclohexyl)piperidine-1-carboxamide
CID 51083495
N-[1-(3-aminobutanoyl)piperidin-3-yl]methanesulfonamide
CID 54871310
N-[(3R)-1-(2,3-dihydroindole-1-carbonyl)piperidin-3-yl]methanesulfonamide
CID 124861937
N-[1-(5-methylfuran-2-carbonyl)piperidin-3-yl]methanesulfonamide
CID 47184451
N-[(3R)-1-[(Z)-2-methylpent-2-enoyl]piperidin-3-yl]methanesulfonamide
CID 95150282

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(morpholine-4-carbonyl)azepan-3-yl]methanesulfonamide?
The IUPAC name of N-[(3R)-1-(morpholine-4-carbonyl)azepan-3-yl]methanesulfonamide (CID 96582173) is N-[(3R)-1-(morpholine-4-carbonyl)azepan-3-yl]methanesulfonamide.
What is the SMILES notation for N-[(3R)-1-(morpholine-4-carbonyl)azepan-3-yl]methanesulfonamide?
The canonical SMILES for N-[(3R)-1-(morpholine-4-carbonyl)azepan-3-yl]methanesulfonamide is CS(=O)(=O)N[C@@H]1CCCCN(C(=O)N2CCOCC2)C1.
What is the InChIKey of N-[(3R)-1-(morpholine-4-carbonyl)azepan-3-yl]methanesulfonamide?
The InChIKey is SZZWGGROLQMGKK-LLVKDONJSA-N. The full InChI is InChI=1S/C12H23N3O4S/c1-20(17,18)13-11-4-2-3-5-15(10-11)12(16)14-6-8-19-9-7-14/h11,13H,2-10H2,1H3/t11-/m1/s1.
What are the key properties of N-[(3R)-1-(morpholine-4-carbonyl)azepan-3-yl]methanesulfonamide?
N-[(3R)-1-(morpholine-4-carbonyl)azepan-3-yl]methanesulfonamide has a molecular weight of 305.40 g/mol, XLogP of -0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(morpholine-4-carbonyl)azepan-3-yl]methanesulfonamide is sourced from PubChem (CID 96582173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).