1-[2-(dimethylsulfamoylamino)ethyl]piperidin-1-ium

C9H22N3O2S+ — CID 7130311

IUPAC1-[2-(dimethylsulfamoylamino)ethyl]piperidin-1-ium
SMILESCN(C)S(=O)(=O)NCC[NH+]1CCCCC1
InChIInChI=1S/C9H21N3O2S/c1-11(2)15(13,14)10-6-9-12-7-4-3-5-8-12/h10H,3-9H2,1-2H3/p+1
InChIKeyBTWKMIXKMIAWBX-UHFFFAOYSA-O
MW236.36 g/mol
LogP-1.55
Rot. Bonds5

About 1-[2-(dimethylsulfamoylamino)ethyl]piperidin-1-ium

1-[2-(dimethylsulfamoylamino)ethyl]piperidin-1-ium (PubChem CID 7130311) has the molecular formula C9H22N3O2S+ and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-[2-(dimethylsulfamoylamino)ethyl]piperidin-1-ium.

Molecular Properties

Compound Name1-[2-(dimethylsulfamoylamino)ethyl]piperidin-1-ium
PubChem CID7130311
Molecular FormulaC9H22N3O2S+
Molecular Weight236.36 g/mol
Exact Mass236.14
IUPAC Name1-[2-(dimethylsulfamoylamino)ethyl]piperidin-1-ium
SMILESCN(C)S(=O)(=O)NCC[NH+]1CCCCC1
InChIInChI=1S/C9H21N3O2S/c1-11(2)15(13,14)10-6-9-12-7-4-3-5-8-12/h10H,3-9H2,1-2H3/p+1
InChIKeyBTWKMIXKMIAWBX-UHFFFAOYSA-O
XLogP-1.55
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 5-1.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylsulfamoylamino)ethyl]piperidin-1-ium?
The IUPAC name of 1-[2-(dimethylsulfamoylamino)ethyl]piperidin-1-ium (CID 7130311) is 1-[2-(dimethylsulfamoylamino)ethyl]piperidin-1-ium.
What is the SMILES notation for 1-[2-(dimethylsulfamoylamino)ethyl]piperidin-1-ium?
The canonical SMILES for 1-[2-(dimethylsulfamoylamino)ethyl]piperidin-1-ium is CN(C)S(=O)(=O)NCC[NH+]1CCCCC1.
What is the InChIKey of 1-[2-(dimethylsulfamoylamino)ethyl]piperidin-1-ium?
The InChIKey is BTWKMIXKMIAWBX-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H21N3O2S/c1-11(2)15(13,14)10-6-9-12-7-4-3-5-8-12/h10H,3-9H2,1-2H3/p+1.
What are the key properties of 1-[2-(dimethylsulfamoylamino)ethyl]piperidin-1-ium?
1-[2-(dimethylsulfamoylamino)ethyl]piperidin-1-ium has a molecular weight of 236.36 g/mol, XLogP of -1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylsulfamoylamino)ethyl]piperidin-1-ium is sourced from PubChem (CID 7130311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).