N-(2-pyrrolidin-2-ylethyl)azepane-1-sulfonamide

C12H25N3O2S — CID 114794249

IUPACN-(2-pyrrolidin-2-ylethyl)azepane-1-sulfonamide
SMILESO=S(=O)(NCCC1CCCN1)N1CCCCCC1
InChIInChI=1S/C12H25N3O2S/c16-18(17,15-10-3-1-2-4-11-15)14-9-7-12-6-5-8-13-12/h12-14H,1-11H2
InChIKeyYQVCUSGIETZZFA-UHFFFAOYSA-N
MW275.42 g/mol
LogP0.84
Rot. Bonds5

About N-(2-pyrrolidin-2-ylethyl)azepane-1-sulfonamide

N-(2-pyrrolidin-2-ylethyl)azepane-1-sulfonamide (PubChem CID 114794249) has the molecular formula C12H25N3O2S and a molecular weight of 275.42 g/mol. Its IUPAC name is N-(2-pyrrolidin-2-ylethyl)azepane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-pyrrolidin-2-ylethyl)azepane-1-sulfonamide
PubChem CID114794249
Molecular FormulaC12H25N3O2S
Molecular Weight275.42 g/mol
Exact Mass275.17
IUPAC NameN-(2-pyrrolidin-2-ylethyl)azepane-1-sulfonamide
SMILESO=S(=O)(NCCC1CCCN1)N1CCCCCC1
InChIInChI=1S/C12H25N3O2S/c16-18(17,15-10-3-1-2-4-11-15)14-9-7-12-6-5-8-13-12/h12-14H,1-11H2
InChIKeyYQVCUSGIETZZFA-UHFFFAOYSA-N
XLogP0.84
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(2R)-pyrrolidin-2-yl]ethyl]morpholine-4-sulfonamide;hydrochloride
CID 120723511
N-[[(2R)-pyrrolidin-2-yl]methyl]azepane-1-sulfonamide
CID 131895046
N-(pyrrolidin-2-ylmethyl)pyrrolidine-1-sulfonamide
CID 62541643
N-(pyrrolidin-2-ylmethyl)pyrrolidine-1-sulfonamide;hydrochloride
CID 119974092
N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide
CID 104972706
(2S)-2-[2-(sulfamoylamino)ethyl]pyrrolidine
CID 104985745
N-(2-cyclohexylethyl)piperazine-1-sulfonamide
CID 54932858
2-[2-(diethylsulfamoylamino)ethyl]pyrrolidine
CID 114794250
2-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethylsulfamoyl]propan-2-amine
CID 104978184
2-(2-pyrrolidin-2-ylethylsulfamoyl)acetic acid
CID 114794124
1-cyano-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]methanesulfonamide
CID 104972512
1,1-dioxo-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]thiane-4-sulfonamide
CID 104972737

Frequently Asked Questions

What is the IUPAC name of N-(2-pyrrolidin-2-ylethyl)azepane-1-sulfonamide?
The IUPAC name of N-(2-pyrrolidin-2-ylethyl)azepane-1-sulfonamide (CID 114794249) is N-(2-pyrrolidin-2-ylethyl)azepane-1-sulfonamide.
What is the SMILES notation for N-(2-pyrrolidin-2-ylethyl)azepane-1-sulfonamide?
The canonical SMILES for N-(2-pyrrolidin-2-ylethyl)azepane-1-sulfonamide is O=S(=O)(NCCC1CCCN1)N1CCCCCC1.
What is the InChIKey of N-(2-pyrrolidin-2-ylethyl)azepane-1-sulfonamide?
The InChIKey is YQVCUSGIETZZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2S/c16-18(17,15-10-3-1-2-4-11-15)14-9-7-12-6-5-8-13-12/h12-14H,1-11H2.
What are the key properties of N-(2-pyrrolidin-2-ylethyl)azepane-1-sulfonamide?
N-(2-pyrrolidin-2-ylethyl)azepane-1-sulfonamide has a molecular weight of 275.42 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrrolidin-2-ylethyl)azepane-1-sulfonamide is sourced from PubChem (CID 114794249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).