N,N-dimethyl-2-(piperidin-3-ylamino)ethanesulfonamide

C9H21N3O2S — CID 56700520

IUPACN,N-dimethyl-2-(piperidin-3-ylamino)ethanesulfonamide
SMILESCN(C)S(=O)(=O)CCNC1CCCNC1
InChIInChI=1S/C9H21N3O2S/c1-12(2)15(13,14)7-6-11-9-4-3-5-10-8-9/h9-11H,3-8H2,1-2H3
InChIKeyVRENMLQJESZMFU-UHFFFAOYSA-N
MW235.35 g/mol
LogP-0.78
Rot. Bonds5

About N,N-dimethyl-2-(piperidin-3-ylamino)ethanesulfonamide

N,N-dimethyl-2-(piperidin-3-ylamino)ethanesulfonamide (PubChem CID 56700520) has the molecular formula C9H21N3O2S and a molecular weight of 235.35 g/mol. Its IUPAC name is N,N-dimethyl-2-(piperidin-3-ylamino)ethanesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-2-(piperidin-3-ylamino)ethanesulfonamide
PubChem CID56700520
Molecular FormulaC9H21N3O2S
Molecular Weight235.35 g/mol
Exact Mass235.14
IUPAC NameN,N-dimethyl-2-(piperidin-3-ylamino)ethanesulfonamide
SMILESCN(C)S(=O)(=O)CCNC1CCCNC1
InChIInChI=1S/C9H21N3O2S/c1-12(2)15(13,14)7-6-11-9-4-3-5-10-8-9/h9-11H,3-8H2,1-2H3
InChIKeyVRENMLQJESZMFU-UHFFFAOYSA-N
XLogP-0.78
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(piperidin-3-ylamino)ethanesulfonamide?
The IUPAC name of N,N-dimethyl-2-(piperidin-3-ylamino)ethanesulfonamide (CID 56700520) is N,N-dimethyl-2-(piperidin-3-ylamino)ethanesulfonamide.
What is the SMILES notation for N,N-dimethyl-2-(piperidin-3-ylamino)ethanesulfonamide?
The canonical SMILES for N,N-dimethyl-2-(piperidin-3-ylamino)ethanesulfonamide is CN(C)S(=O)(=O)CCNC1CCCNC1.
What is the InChIKey of N,N-dimethyl-2-(piperidin-3-ylamino)ethanesulfonamide?
The InChIKey is VRENMLQJESZMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O2S/c1-12(2)15(13,14)7-6-11-9-4-3-5-10-8-9/h9-11H,3-8H2,1-2H3.
What are the key properties of N,N-dimethyl-2-(piperidin-3-ylamino)ethanesulfonamide?
N,N-dimethyl-2-(piperidin-3-ylamino)ethanesulfonamide has a molecular weight of 235.35 g/mol, XLogP of -0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(piperidin-3-ylamino)ethanesulfonamide is sourced from PubChem (CID 56700520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).