3-[(dimethylsulfamoylamino)methyl]piperidine

C8H19N3O2S — CID 21186546

IUPAC3-[(dimethylsulfamoylamino)methyl]piperidine
SMILESCN(C)S(=O)(=O)NCC1CCCNC1
InChIInChI=1S/C8H19N3O2S/c1-11(2)14(12,13)10-7-8-4-3-5-9-6-8/h8-10H,3-7H2,1-2H3
InChIKeyUJVCIZQVHDYMPI-UHFFFAOYSA-N
MW221.33 g/mol
LogP-0.62
Rot. Bonds4

About 3-[(dimethylsulfamoylamino)methyl]piperidine

3-[(dimethylsulfamoylamino)methyl]piperidine (PubChem CID 21186546) has the molecular formula C8H19N3O2S and a molecular weight of 221.33 g/mol. Its IUPAC name is 3-[(dimethylsulfamoylamino)methyl]piperidine.

Molecular Properties

Compound Name3-[(dimethylsulfamoylamino)methyl]piperidine
PubChem CID21186546
Molecular FormulaC8H19N3O2S
Molecular Weight221.33 g/mol
Exact Mass221.12
IUPAC Name3-[(dimethylsulfamoylamino)methyl]piperidine
SMILESCN(C)S(=O)(=O)NCC1CCCNC1
InChIInChI=1S/C8H19N3O2S/c1-11(2)14(12,13)10-7-8-4-3-5-9-6-8/h8-10H,3-7H2,1-2H3
InChIKeyUJVCIZQVHDYMPI-UHFFFAOYSA-N
XLogP-0.62
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylsulfamoylamino)methyl]piperidine?
The IUPAC name of 3-[(dimethylsulfamoylamino)methyl]piperidine (CID 21186546) is 3-[(dimethylsulfamoylamino)methyl]piperidine.
What is the SMILES notation for 3-[(dimethylsulfamoylamino)methyl]piperidine?
The canonical SMILES for 3-[(dimethylsulfamoylamino)methyl]piperidine is CN(C)S(=O)(=O)NCC1CCCNC1.
What is the InChIKey of 3-[(dimethylsulfamoylamino)methyl]piperidine?
The InChIKey is UJVCIZQVHDYMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O2S/c1-11(2)14(12,13)10-7-8-4-3-5-9-6-8/h8-10H,3-7H2,1-2H3.
What are the key properties of 3-[(dimethylsulfamoylamino)methyl]piperidine?
3-[(dimethylsulfamoylamino)methyl]piperidine has a molecular weight of 221.33 g/mol, XLogP of -0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dimethylsulfamoylamino)methyl]piperidine is sourced from PubChem (CID 21186546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).