1-piperazin-1-ylsulfonylazepane chloride

C10H21ClN3O2S- — CID 53351990

IUPAC1-piperazin-1-ylsulfonylazepane chloride
SMILESO=S(=O)(N1CCCCCC1)N1CCNCC1.[Cl-]
InChIInChI=1S/C10H21N3O2S.ClH/c14-16(15,13-9-5-11-6-10-13)12-7-3-1-2-4-8-12;/h11H,1-10H2;1H/p-1
InChIKeyVAPBINNBCGYRPI-UHFFFAOYSA-M
MW282.82 g/mol
LogP-2.98
Rot. Bonds2

About 1-piperazin-1-ylsulfonylazepane chloride

1-piperazin-1-ylsulfonylazepane chloride (PubChem CID 53351990) has the molecular formula C10H21ClN3O2S- and a molecular weight of 282.82 g/mol. Its IUPAC name is 1-piperazin-1-ylsulfonylazepane chloride.

Molecular Properties

Compound Name1-piperazin-1-ylsulfonylazepane chloride
PubChem CID53351990
Molecular FormulaC10H21ClN3O2S-
Molecular Weight282.82 g/mol
Exact Mass282.10
IUPAC Name1-piperazin-1-ylsulfonylazepane chloride
SMILESO=S(=O)(N1CCCCCC1)N1CCNCC1.[Cl-]
InChIInChI=1S/C10H21N3O2S.ClH/c14-16(15,13-9-5-11-6-10-13)12-7-3-1-2-4-8-12;/h11H,1-10H2;1H/p-1
InChIKeyVAPBINNBCGYRPI-UHFFFAOYSA-M
XLogP-2.98
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.82
LogP ≤ 5-2.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-Piperazinylsulfonyl)azepane hydrochloride
CID 2985869
1-(Piperidine-1-sulfonyl)piperazine hydrochloride
CID 56965519
2-(aminomethyl)-N,N-dimethylpiperidine-1-sulfonamide hydrochloride
CID 119031489
1-(Piperazine-1-sulfonyl)azepane
CID 2985870
N-[6-(trifluoromethyl)piperidin-3-yl]azepane-1-sulfonamide
CID 82794527
1-Piperazin-4-ium-1-ylsulfonylazepane
CID 7378377
Molecular hydrogen;1-piperazin-1-ylsulfonylazepane;chloride
CID 16451310
2-[(Dimethylsulfamoylamino)methyl]piperidine
CID 17791132
1-(Piperidin-1-ylsulfonyl)-1,4-diazepane
CID 28746674
1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonyl-1,4-diazepane
CID 28746688
N-(2-aminoethyl)azepane-1-sulfonamide
CID 28783149
1-(Azepan-1-ylsulfonyl)piperidin-4-amine
CID 28783161

Frequently Asked Questions

What is the IUPAC name of 1-piperazin-1-ylsulfonylazepane chloride?
The IUPAC name of 1-piperazin-1-ylsulfonylazepane chloride (CID 53351990) is 1-piperazin-1-ylsulfonylazepane chloride.
What is the SMILES notation for 1-piperazin-1-ylsulfonylazepane chloride?
The canonical SMILES for 1-piperazin-1-ylsulfonylazepane chloride is O=S(=O)(N1CCCCCC1)N1CCNCC1.[Cl-].
What is the InChIKey of 1-piperazin-1-ylsulfonylazepane chloride?
The InChIKey is VAPBINNBCGYRPI-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H21N3O2S.ClH/c14-16(15,13-9-5-11-6-10-13)12-7-3-1-2-4-8-12;/h11H,1-10H2;1H/p-1.
What are the key properties of 1-piperazin-1-ylsulfonylazepane chloride?
1-piperazin-1-ylsulfonylazepane chloride has a molecular weight of 282.82 g/mol, XLogP of -2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperazin-1-ylsulfonylazepane chloride is sourced from PubChem (CID 53351990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).