4-(2-ethylpiperidine-1-carbonyl)-N,N-dimethylpiperidine-1-sulfonamide

C15H29N3O3S — CID 113005798

IUPAC4-(2-ethylpiperidine-1-carbonyl)-N,N-dimethylpiperidine-1-sulfonamide
SMILESCCC1CCCCN1C(=O)C1CCN(S(=O)(=O)N(C)C)CC1
InChIInChI=1S/C15H29N3O3S/c1-4-14-7-5-6-10-18(14)15(19)13-8-11-17(12-9-13)22(20,21)16(2)3/h13-14H,4-12H2,1-3H3
InChIKeyGSHLYOUJPJUMDA-UHFFFAOYSA-N
MW331.48 g/mol
LogP1.30
Rot. Bonds4

About 4-(2-ethylpiperidine-1-carbonyl)-N,N-dimethylpiperidine-1-sulfonamide

4-(2-ethylpiperidine-1-carbonyl)-N,N-dimethylpiperidine-1-sulfonamide (PubChem CID 113005798) has the molecular formula C15H29N3O3S and a molecular weight of 331.48 g/mol. Its IUPAC name is 4-(2-ethylpiperidine-1-carbonyl)-N,N-dimethylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name4-(2-ethylpiperidine-1-carbonyl)-N,N-dimethylpiperidine-1-sulfonamide
PubChem CID113005798
Molecular FormulaC15H29N3O3S
Molecular Weight331.48 g/mol
Exact Mass331.19
IUPAC Name4-(2-ethylpiperidine-1-carbonyl)-N,N-dimethylpiperidine-1-sulfonamide
SMILESCCC1CCCCN1C(=O)C1CCN(S(=O)(=O)N(C)C)CC1
InChIInChI=1S/C15H29N3O3S/c1-4-14-7-5-6-10-18(14)15(19)13-8-11-17(12-9-13)22(20,21)16(2)3/h13-14H,4-12H2,1-3H3
InChIKeyGSHLYOUJPJUMDA-UHFFFAOYSA-N
XLogP1.30
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.48
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cyclohexyl-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 798108
4-(2-ethylpiperidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 63783975
1-[4-(2-ethylpiperidine-1-carbonyl)piperidin-1-yl]butan-1-one
CID 113005746
4-(2-ethylpyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 63782284
[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
CID 66261063
[2-(2-hydroxyethyl)piperidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
CID 60741388
1-[(2R)-2-ethylpiperidin-1-yl]propan-1-one
CID 40538705
1-[4-(2-ethylpiperidine-1-carbonyl)piperidin-1-yl]-3-methylbutan-1-one
CID 113005749
[4-(aminomethyl)cyclohexyl]-(2-ethylpyrrolidin-1-yl)methanone
CID 62806035
N-tert-butyl-4-(2-ethylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109149554
4-(cyclopropanecarbonyl)-N,N-dimethylpiperazine-1-sulfonamide
CID 60738795
2-(2-ethylpiperidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 43213005

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylpiperidine-1-carbonyl)-N,N-dimethylpiperidine-1-sulfonamide?
The IUPAC name of 4-(2-ethylpiperidine-1-carbonyl)-N,N-dimethylpiperidine-1-sulfonamide (CID 113005798) is 4-(2-ethylpiperidine-1-carbonyl)-N,N-dimethylpiperidine-1-sulfonamide.
What is the SMILES notation for 4-(2-ethylpiperidine-1-carbonyl)-N,N-dimethylpiperidine-1-sulfonamide?
The canonical SMILES for 4-(2-ethylpiperidine-1-carbonyl)-N,N-dimethylpiperidine-1-sulfonamide is CCC1CCCCN1C(=O)C1CCN(S(=O)(=O)N(C)C)CC1.
What is the InChIKey of 4-(2-ethylpiperidine-1-carbonyl)-N,N-dimethylpiperidine-1-sulfonamide?
The InChIKey is GSHLYOUJPJUMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3S/c1-4-14-7-5-6-10-18(14)15(19)13-8-11-17(12-9-13)22(20,21)16(2)3/h13-14H,4-12H2,1-3H3.
What are the key properties of 4-(2-ethylpiperidine-1-carbonyl)-N,N-dimethylpiperidine-1-sulfonamide?
4-(2-ethylpiperidine-1-carbonyl)-N,N-dimethylpiperidine-1-sulfonamide has a molecular weight of 331.48 g/mol, XLogP of 1.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylpiperidine-1-carbonyl)-N,N-dimethylpiperidine-1-sulfonamide is sourced from PubChem (CID 113005798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).