N-[(3,3-dimethylpiperidin-2-yl)methyl]pyrrolidine-1-sulfonamide

C12H25N3O2S — CID 114083940

IUPACN-[(3,3-dimethylpiperidin-2-yl)methyl]pyrrolidine-1-sulfonamide
SMILESCC1(C)CCCNC1CNS(=O)(=O)N1CCCC1
InChIInChI=1S/C12H25N3O2S/c1-12(2)6-5-7-13-11(12)10-14-18(16,17)15-8-3-4-9-15/h11,13-14H,3-10H2,1-2H3
InChIKeySBDUHQUGDBABJM-UHFFFAOYSA-N
MW275.42 g/mol
LogP0.69
Rot. Bonds4

About N-[(3,3-dimethylpiperidin-2-yl)methyl]pyrrolidine-1-sulfonamide

N-[(3,3-dimethylpiperidin-2-yl)methyl]pyrrolidine-1-sulfonamide (PubChem CID 114083940) has the molecular formula C12H25N3O2S and a molecular weight of 275.42 g/mol. Its IUPAC name is N-[(3,3-dimethylpiperidin-2-yl)methyl]pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-[(3,3-dimethylpiperidin-2-yl)methyl]pyrrolidine-1-sulfonamide
PubChem CID114083940
Molecular FormulaC12H25N3O2S
Molecular Weight275.42 g/mol
Exact Mass275.17
IUPAC NameN-[(3,3-dimethylpiperidin-2-yl)methyl]pyrrolidine-1-sulfonamide
SMILESCC1(C)CCCNC1CNS(=O)(=O)N1CCCC1
InChIInChI=1S/C12H25N3O2S/c1-12(2)6-5-7-13-11(12)10-14-18(16,17)15-8-3-4-9-15/h11,13-14H,3-10H2,1-2H3
InChIKeySBDUHQUGDBABJM-UHFFFAOYSA-N
XLogP0.69
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R*,4S*)-3-amino-N-ethyl-N-methyl-4-propyl-1-pyrrolidinesulfonamide
CID 72885954
N-[(3,3-dimethylpiperidin-2-yl)methylsulfamoyl]-2,2,2-trifluoroethanamine
CID 105566090
N-[(3,3-dimethylpiperidin-2-yl)methylsulfamoyl]-2,2,2-trifluoroethanamine;hydrochloride
CID 121673216
1-[(2S,4S)-4-fluoro-1-(3-methylpiperidin-1-yl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine
CID 132355566
1-[(2S,4S)-1-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-fluoropyrrolidin-2-yl]-N-methylmethanamine
CID 132355567
2-(Pyrrolidin-1-yl)methyl-3,3-dimethyl piperidine
CID 15165790
2-(Pyrrolidin-1-yl)methyl-4,4-dimethyl piperidine
CID 15165796
4-Methyl-2-(2-piperidin-4-ylpropyl)-1,2,5-thiadiazolidine 1,1-dioxide
CID 20434878
2-[2-(4-Piperidyl)ethyl]-4-methyl-1,2,5-thiadiazolidine-1,1-dioxide
CID 20434886
2-[2-(4-Piperidyl)ethyl]-3-methyl-1,2,5-thiadiazolidine-1,1-dioxide
CID 20434889
2-(1-Piperidin-4-ylethyl)-1,2,5-thiadiazolidine 1,1-dioxide
CID 20434925
2-(2-Piperidin-4-ylpropyl)-1,2,5-thiadiazolidine 1,1-dioxide
CID 20434940

Frequently Asked Questions

What is the IUPAC name of N-[(3,3-dimethylpiperidin-2-yl)methyl]pyrrolidine-1-sulfonamide?
The IUPAC name of N-[(3,3-dimethylpiperidin-2-yl)methyl]pyrrolidine-1-sulfonamide (CID 114083940) is N-[(3,3-dimethylpiperidin-2-yl)methyl]pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-[(3,3-dimethylpiperidin-2-yl)methyl]pyrrolidine-1-sulfonamide?
The canonical SMILES for N-[(3,3-dimethylpiperidin-2-yl)methyl]pyrrolidine-1-sulfonamide is CC1(C)CCCNC1CNS(=O)(=O)N1CCCC1.
What is the InChIKey of N-[(3,3-dimethylpiperidin-2-yl)methyl]pyrrolidine-1-sulfonamide?
The InChIKey is SBDUHQUGDBABJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2S/c1-12(2)6-5-7-13-11(12)10-14-18(16,17)15-8-3-4-9-15/h11,13-14H,3-10H2,1-2H3.
What are the key properties of N-[(3,3-dimethylpiperidin-2-yl)methyl]pyrrolidine-1-sulfonamide?
N-[(3,3-dimethylpiperidin-2-yl)methyl]pyrrolidine-1-sulfonamide has a molecular weight of 275.42 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,3-dimethylpiperidin-2-yl)methyl]pyrrolidine-1-sulfonamide is sourced from PubChem (CID 114083940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).