1-[3-(dimethylsulfamoylamino)propyl]-3,5-dimethylpiperidine

C12H27N3O2S — CID 47214861

IUPAC1-[3-(dimethylsulfamoylamino)propyl]-3,5-dimethylpiperidine
SMILESCC1CC(C)CN(CCCNS(=O)(=O)N(C)C)C1
InChIInChI=1S/C12H27N3O2S/c1-11-8-12(2)10-15(9-11)7-5-6-13-18(16,17)14(3)4/h11-13H,5-10H2,1-4H3
InChIKeyDBONNYHUIFXWDJ-UHFFFAOYSA-N
MW277.43 g/mol
LogP0.75
Rot. Bonds6

About 1-[3-(dimethylsulfamoylamino)propyl]-3,5-dimethylpiperidine

1-[3-(dimethylsulfamoylamino)propyl]-3,5-dimethylpiperidine (PubChem CID 47214861) has the molecular formula C12H27N3O2S and a molecular weight of 277.43 g/mol. Its IUPAC name is 1-[3-(dimethylsulfamoylamino)propyl]-3,5-dimethylpiperidine.

Molecular Properties

Compound Name1-[3-(dimethylsulfamoylamino)propyl]-3,5-dimethylpiperidine
PubChem CID47214861
Molecular FormulaC12H27N3O2S
Molecular Weight277.43 g/mol
Exact Mass277.18
IUPAC Name1-[3-(dimethylsulfamoylamino)propyl]-3,5-dimethylpiperidine
SMILESCC1CC(C)CN(CCCNS(=O)(=O)N(C)C)C1
InChIInChI=1S/C12H27N3O2S/c1-11-8-12(2)10-15(9-11)7-5-6-13-18(16,17)14(3)4/h11-13H,5-10H2,1-4H3
InChIKeyDBONNYHUIFXWDJ-UHFFFAOYSA-N
XLogP0.75
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(3,5-Dimethylpiperidin-1-yl)propan-1-amine
CID 6487611
3-(3-Methylpiperidin-1-yl)propan-1-amine
CID 33069
N-(piperidin-3-ylmethyl)methanesulfonamide
CID 4343050
(1-Ethylpiperidin-3-yl)methanamine
CID 5200272
N-(piperidin-3-ylmethyl)aminosulfonamide
CID 21186538
[(1-Isobutylpiperidin-3-yl)methyl]amine
CID 24274799
N-[2-(1-methylpiperidin-4-yl)ethyl]methanesulfonamide
CID 72025553
N-propylpiperidine-1-sulfonamide
CID 43243224
4-(aminomethyl)-N,N-dimethylpiperidine-1-sulfonamide hydrochloride
CID 71756529
4-methyl-N-(3-methylbutan-2-yl)piperidine-1-sulfonamide
CID 43053258
4-(Diethylsulfamoylamino)-1-propylpiperidine
CID 53529219
N-[[1-(3-methylbutyl)piperidin-4-yl]methyl]methanesulfonamide
CID 71975842

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylsulfamoylamino)propyl]-3,5-dimethylpiperidine?
The IUPAC name of 1-[3-(dimethylsulfamoylamino)propyl]-3,5-dimethylpiperidine (CID 47214861) is 1-[3-(dimethylsulfamoylamino)propyl]-3,5-dimethylpiperidine.
What is the SMILES notation for 1-[3-(dimethylsulfamoylamino)propyl]-3,5-dimethylpiperidine?
The canonical SMILES for 1-[3-(dimethylsulfamoylamino)propyl]-3,5-dimethylpiperidine is CC1CC(C)CN(CCCNS(=O)(=O)N(C)C)C1.
What is the InChIKey of 1-[3-(dimethylsulfamoylamino)propyl]-3,5-dimethylpiperidine?
The InChIKey is DBONNYHUIFXWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O2S/c1-11-8-12(2)10-15(9-11)7-5-6-13-18(16,17)14(3)4/h11-13H,5-10H2,1-4H3.
What are the key properties of 1-[3-(dimethylsulfamoylamino)propyl]-3,5-dimethylpiperidine?
1-[3-(dimethylsulfamoylamino)propyl]-3,5-dimethylpiperidine has a molecular weight of 277.43 g/mol, XLogP of 0.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylsulfamoylamino)propyl]-3,5-dimethylpiperidine is sourced from PubChem (CID 47214861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).