N-pyrrolidin-3-ylazepane-1-sulfonamide;hydrochloride

C10H22ClN3O2S — CID 119966821

IUPACN-pyrrolidin-3-ylazepane-1-sulfonamide;hydrochloride
SMILESCl.O=S(=O)(NC1CCNC1)N1CCCCCC1
InChIInChI=1S/C10H21N3O2S.ClH/c14-16(15,12-10-5-6-11-9-10)13-7-3-1-2-4-8-13;/h10-12H,1-9H2;1H
InChIKeyXDGVTFJKVATEAD-UHFFFAOYSA-N
MW283.82 g/mol
LogP0.48
Rot. Bonds3

About N-pyrrolidin-3-ylazepane-1-sulfonamide;hydrochloride

N-pyrrolidin-3-ylazepane-1-sulfonamide;hydrochloride (PubChem CID 119966821) has the molecular formula C10H22ClN3O2S and a molecular weight of 283.82 g/mol. Its IUPAC name is N-pyrrolidin-3-ylazepane-1-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-pyrrolidin-3-ylazepane-1-sulfonamide;hydrochloride
PubChem CID119966821
Molecular FormulaC10H22ClN3O2S
Molecular Weight283.82 g/mol
Exact Mass283.11
IUPAC NameN-pyrrolidin-3-ylazepane-1-sulfonamide;hydrochloride
SMILESCl.O=S(=O)(NC1CCNC1)N1CCCCCC1
InChIInChI=1S/C10H21N3O2S.ClH/c14-16(15,12-10-5-6-11-9-10)13-7-3-1-2-4-8-13;/h10-12H,1-9H2;1H
InChIKeyXDGVTFJKVATEAD-UHFFFAOYSA-N
XLogP0.48
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.82
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3S)-piperidin-3-yl]piperidine-1-sulfonamide;hydrochloride
CID 120716711
N-[(3S)-pyrrolidin-3-yl]morpholine-4-sulfonamide
CID 79685144
N-cycloheptylpiperidine-1-sulfonamide
CID 110705910
N-cyclopropylpyrrolidine-1-sulfonamide
CID 60723889
N-(2-methylpiperidin-4-yl)azepane-1-sulfonamide
CID 106995874
N-(6-oxopiperidin-3-yl)azepane-1-sulfonamide
CID 55244528
N-pyrrolidin-3-yl-2-pyrrolidin-1-ylsulfonylbenzenesulfonamide;hydrochloride
CID 120707575
3,5-dimethyl-N-[(3S)-pyrrolidin-3-yl]piperidine-1-sulfonamide
CID 79685910
N-[4-(methylamino)cyclohexyl]piperidine-1-sulfonamide
CID 43653532
N-(1-piperidin-3-ylethyl)piperidine-1-sulfonamide
CID 43523454
N-(3-aminocyclobutyl)piperidine-1-sulfonamide
CID 43597759
ethyl 1-[[(3S)-piperidin-3-yl]sulfamoyl]piperidine-4-carboxylate
CID 104982617

Frequently Asked Questions

What is the IUPAC name of N-pyrrolidin-3-ylazepane-1-sulfonamide;hydrochloride?
The IUPAC name of N-pyrrolidin-3-ylazepane-1-sulfonamide;hydrochloride (CID 119966821) is N-pyrrolidin-3-ylazepane-1-sulfonamide;hydrochloride.
What is the SMILES notation for N-pyrrolidin-3-ylazepane-1-sulfonamide;hydrochloride?
The canonical SMILES for N-pyrrolidin-3-ylazepane-1-sulfonamide;hydrochloride is Cl.O=S(=O)(NC1CCNC1)N1CCCCCC1.
What is the InChIKey of N-pyrrolidin-3-ylazepane-1-sulfonamide;hydrochloride?
The InChIKey is XDGVTFJKVATEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2S.ClH/c14-16(15,12-10-5-6-11-9-10)13-7-3-1-2-4-8-13;/h10-12H,1-9H2;1H.
What are the key properties of N-pyrrolidin-3-ylazepane-1-sulfonamide;hydrochloride?
N-pyrrolidin-3-ylazepane-1-sulfonamide;hydrochloride has a molecular weight of 283.82 g/mol, XLogP of 0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrrolidin-3-ylazepane-1-sulfonamide;hydrochloride is sourced from PubChem (CID 119966821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).