N-[[(2R)-pyrrolidin-2-yl]methyl]azepane-1-sulfonamide

C11H23N3O2S — CID 131895046

IUPACN-[[(2R)-pyrrolidin-2-yl]methyl]azepane-1-sulfonamide
SMILESO=S(=O)(NC[C@H]1CCCN1)N1CCCCCC1
InChIInChI=1S/C11H23N3O2S/c15-17(16,13-10-11-6-5-7-12-11)14-8-3-1-2-4-9-14/h11-13H,1-10H2/t11-/m1/s1
InChIKeyOQMWCNLEPOHLTE-LLVKDONJSA-N
MW261.39 g/mol
LogP0.45
Rot. Bonds4

About N-[[(2R)-pyrrolidin-2-yl]methyl]azepane-1-sulfonamide

N-[[(2R)-pyrrolidin-2-yl]methyl]azepane-1-sulfonamide (PubChem CID 131895046) has the molecular formula C11H23N3O2S and a molecular weight of 261.39 g/mol. Its IUPAC name is N-[[(2R)-pyrrolidin-2-yl]methyl]azepane-1-sulfonamide.

Molecular Properties

Compound NameN-[[(2R)-pyrrolidin-2-yl]methyl]azepane-1-sulfonamide
PubChem CID131895046
Molecular FormulaC11H23N3O2S
Molecular Weight261.39 g/mol
Exact Mass261.15
IUPAC NameN-[[(2R)-pyrrolidin-2-yl]methyl]azepane-1-sulfonamide
SMILESO=S(=O)(NC[C@H]1CCCN1)N1CCCCCC1
InChIInChI=1S/C11H23N3O2S/c15-17(16,13-10-11-6-5-7-12-11)14-8-3-1-2-4-9-14/h11-13H,1-10H2/t11-/m1/s1
InChIKeyOQMWCNLEPOHLTE-LLVKDONJSA-N
XLogP0.45
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(pyrrolidin-2-ylmethyl)pyrrolidine-1-sulfonamide
CID 62541643
N-(pyrrolidin-2-ylmethyl)pyrrolidine-1-sulfonamide;hydrochloride
CID 119974092
N-(2-pyrrolidin-2-ylethyl)azepane-1-sulfonamide
CID 114794249
N-(pyrrolidin-2-ylmethyl)methanesulfonamide
CID 59418450
N-(pyrrolidin-2-ylmethyl)cyclopentanesulfonamide
CID 115752325
N-[(2-hydroxycyclohexyl)methyl]piperidine-1-sulfonamide
CID 64910982
1-cyclohexyl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide;hydrochloride
CID 119974331
N-[2-[(2R)-pyrrolidin-2-yl]ethyl]morpholine-4-sulfonamide;hydrochloride
CID 120723511
1-(piperidin-2-ylmethylsulfonyl)piperidine
CID 55151116
1-cyclopentyl-N-[[(2R)-pyrrolidin-2-yl]methyl]methanesulfonamide
CID 121497367
N-[(3,3-dimethylpiperidin-2-yl)methyl]pyrrolidine-1-sulfonamide
CID 114083940
N-[(4-hydroxycyclohexyl)methyl]piperidine-1-sulfonamide
CID 114147060

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-pyrrolidin-2-yl]methyl]azepane-1-sulfonamide?
The IUPAC name of N-[[(2R)-pyrrolidin-2-yl]methyl]azepane-1-sulfonamide (CID 131895046) is N-[[(2R)-pyrrolidin-2-yl]methyl]azepane-1-sulfonamide.
What is the SMILES notation for N-[[(2R)-pyrrolidin-2-yl]methyl]azepane-1-sulfonamide?
The canonical SMILES for N-[[(2R)-pyrrolidin-2-yl]methyl]azepane-1-sulfonamide is O=S(=O)(NC[C@H]1CCCN1)N1CCCCCC1.
What is the InChIKey of N-[[(2R)-pyrrolidin-2-yl]methyl]azepane-1-sulfonamide?
The InChIKey is OQMWCNLEPOHLTE-LLVKDONJSA-N. The full InChI is InChI=1S/C11H23N3O2S/c15-17(16,13-10-11-6-5-7-12-11)14-8-3-1-2-4-9-14/h11-13H,1-10H2/t11-/m1/s1.
What are the key properties of N-[[(2R)-pyrrolidin-2-yl]methyl]azepane-1-sulfonamide?
N-[[(2R)-pyrrolidin-2-yl]methyl]azepane-1-sulfonamide has a molecular weight of 261.39 g/mol, XLogP of 0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-pyrrolidin-2-yl]methyl]azepane-1-sulfonamide is sourced from PubChem (CID 131895046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).