1-[2-(diethylsulfamoylamino)propanoyl]-2-methylpiperidine

C13H27N3O3S — CID 51108067

IUPAC1-[2-(diethylsulfamoylamino)propanoyl]-2-methylpiperidine
SMILESCCN(CC)S(=O)(=O)NC(C)C(=O)N1CCCCC1C
InChIInChI=1S/C13H27N3O3S/c1-5-15(6-2)20(18,19)14-12(4)13(17)16-10-8-7-9-11(16)3/h11-12,14H,5-10H2,1-4H3
InChIKeyMEHUNOUWGACVQE-UHFFFAOYSA-N
MW305.44 g/mol
LogP0.95
Rot. Bonds6

About 1-[2-(diethylsulfamoylamino)propanoyl]-2-methylpiperidine

1-[2-(diethylsulfamoylamino)propanoyl]-2-methylpiperidine (PubChem CID 51108067) has the molecular formula C13H27N3O3S and a molecular weight of 305.44 g/mol. Its IUPAC name is 1-[2-(diethylsulfamoylamino)propanoyl]-2-methylpiperidine.

Molecular Properties

Compound Name1-[2-(diethylsulfamoylamino)propanoyl]-2-methylpiperidine
PubChem CID51108067
Molecular FormulaC13H27N3O3S
Molecular Weight305.44 g/mol
Exact Mass305.18
IUPAC Name1-[2-(diethylsulfamoylamino)propanoyl]-2-methylpiperidine
SMILESCCN(CC)S(=O)(=O)NC(C)C(=O)N1CCCCC1C
InChIInChI=1S/C13H27N3O3S/c1-5-15(6-2)20(18,19)14-12(4)13(17)16-10-8-7-9-11(16)3/h11-12,14H,5-10H2,1-4H3
InChIKeyMEHUNOUWGACVQE-UHFFFAOYSA-N
XLogP0.95
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,3,5-trimethyl-N-[(2S)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]pyrazole-4-sulfonamide
CID 95281378
1-(4-fluorophenyl)-N-[(2R)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]methanesulfonamide
CID 94811590
1-[(2R)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-3-propylurea
CID 95339356
(2S)-2-[3-(dimethylamino)propylamino]-1-[(2S)-2-methylpiperidin-1-yl]propan-1-one
CID 7437376
2-hydroxy-1-(2-methylpiperidin-1-yl)propan-1-one
CID 86060636
3-methyl-N-[(2S)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]benzenesulfonamide
CID 95148436
1-cyclopropyl-3-[(2R)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]urea
CID 95285970
1-[(2R)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-3-(3-methylsulfonylpropyl)urea
CID 95292527
1-[(2S)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-3-prop-2-ynylurea
CID 95334528
methyl N-[(2S)-1-[(2R)-2-methylpyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate
CID 145019420
N-butan-2-yl-2-methylpiperidine-1-carboxamide
CID 45366573
2,2-dichloro-1-(2-methylpiperidin-1-yl)ethanone
CID 3528857

Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylsulfamoylamino)propanoyl]-2-methylpiperidine?
The IUPAC name of 1-[2-(diethylsulfamoylamino)propanoyl]-2-methylpiperidine (CID 51108067) is 1-[2-(diethylsulfamoylamino)propanoyl]-2-methylpiperidine.
What is the SMILES notation for 1-[2-(diethylsulfamoylamino)propanoyl]-2-methylpiperidine?
The canonical SMILES for 1-[2-(diethylsulfamoylamino)propanoyl]-2-methylpiperidine is CCN(CC)S(=O)(=O)NC(C)C(=O)N1CCCCC1C.
What is the InChIKey of 1-[2-(diethylsulfamoylamino)propanoyl]-2-methylpiperidine?
The InChIKey is MEHUNOUWGACVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O3S/c1-5-15(6-2)20(18,19)14-12(4)13(17)16-10-8-7-9-11(16)3/h11-12,14H,5-10H2,1-4H3.
What are the key properties of 1-[2-(diethylsulfamoylamino)propanoyl]-2-methylpiperidine?
1-[2-(diethylsulfamoylamino)propanoyl]-2-methylpiperidine has a molecular weight of 305.44 g/mol, XLogP of 0.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylsulfamoylamino)propanoyl]-2-methylpiperidine is sourced from PubChem (CID 51108067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).