3-[(2-methylpropylamino)methyl]-N-propan-2-ylpiperidine-1-sulfonamide

C13H29N3O2S — CID 114813108

IUPAC3-[(2-methylpropylamino)methyl]-N-propan-2-ylpiperidine-1-sulfonamide
SMILESCC(C)CNCC1CCCN(S(=O)(=O)NC(C)C)C1
InChIInChI=1S/C13H29N3O2S/c1-11(2)8-14-9-13-6-5-7-16(10-13)19(17,18)15-12(3)4/h11-15H,5-10H2,1-4H3
InChIKeyNFOYWRCSEQBENM-UHFFFAOYSA-N
MW291.46 g/mol
LogP1.19
Rot. Bonds7

About 3-[(2-methylpropylamino)methyl]-N-propan-2-ylpiperidine-1-sulfonamide

3-[(2-methylpropylamino)methyl]-N-propan-2-ylpiperidine-1-sulfonamide (PubChem CID 114813108) has the molecular formula C13H29N3O2S and a molecular weight of 291.46 g/mol. Its IUPAC name is 3-[(2-methylpropylamino)methyl]-N-propan-2-ylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name3-[(2-methylpropylamino)methyl]-N-propan-2-ylpiperidine-1-sulfonamide
PubChem CID114813108
Molecular FormulaC13H29N3O2S
Molecular Weight291.46 g/mol
Exact Mass291.20
IUPAC Name3-[(2-methylpropylamino)methyl]-N-propan-2-ylpiperidine-1-sulfonamide
SMILESCC(C)CNCC1CCCN(S(=O)(=O)NC(C)C)C1
InChIInChI=1S/C13H29N3O2S/c1-11(2)8-14-9-13-6-5-7-16(10-13)19(17,18)15-12(3)4/h11-15H,5-10H2,1-4H3
InChIKeyNFOYWRCSEQBENM-UHFFFAOYSA-N
XLogP1.19
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methoxyethyl)-3-[(2-methylpropylamino)methyl]piperidine-1-sulfonamide
CID 114816829
N-methyl-3-[(2-methylpropylamino)methyl]-N-propan-2-ylpiperidine-1-sulfonamide
CID 63878251
2-methyl-N-[[1-(methylsulfonylmethylsulfonyl)piperidin-3-yl]methyl]propan-1-amine
CID 82843502
3-(2-hydroxyethyl)-N-propan-2-ylpiperidine-1-sulfonamide
CID 115969767
2-methyl-N-[[1-(oxan-4-ylsulfonyl)piperidin-3-yl]methyl]propan-1-amine
CID 63878590
N-(1-cyclobutylethyl)-3-(propylaminomethyl)piperidine-1-sulfonamide
CID 106084943
N-(1-ethoxypropan-2-yl)-3-(ethylaminomethyl)piperidine-1-sulfonamide
CID 106054302
N-[1-(dimethylamino)propan-2-yl]-3-(propylaminomethyl)piperidine-1-sulfonamide
CID 106074497
3-methyl-4-[(1-methylsulfonylpiperidin-3-yl)methylamino]butan-1-ol
CID 79613327
N-(1-cyclopropylbutan-2-yl)-3-(ethylaminomethyl)piperidine-1-sulfonamide
CID 106063963
2-methyl-N-[(1-piperidin-1-ylsulfonylpiperidin-4-yl)methyl]propan-1-amine
CID 63878573
2-methyl-N-[[1-(2-methylpropyl)piperidin-3-yl]methyl]propan-1-amine
CID 62591662

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylpropylamino)methyl]-N-propan-2-ylpiperidine-1-sulfonamide?
The IUPAC name of 3-[(2-methylpropylamino)methyl]-N-propan-2-ylpiperidine-1-sulfonamide (CID 114813108) is 3-[(2-methylpropylamino)methyl]-N-propan-2-ylpiperidine-1-sulfonamide.
What is the SMILES notation for 3-[(2-methylpropylamino)methyl]-N-propan-2-ylpiperidine-1-sulfonamide?
The canonical SMILES for 3-[(2-methylpropylamino)methyl]-N-propan-2-ylpiperidine-1-sulfonamide is CC(C)CNCC1CCCN(S(=O)(=O)NC(C)C)C1.
What is the InChIKey of 3-[(2-methylpropylamino)methyl]-N-propan-2-ylpiperidine-1-sulfonamide?
The InChIKey is NFOYWRCSEQBENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O2S/c1-11(2)8-14-9-13-6-5-7-16(10-13)19(17,18)15-12(3)4/h11-15H,5-10H2,1-4H3.
What are the key properties of 3-[(2-methylpropylamino)methyl]-N-propan-2-ylpiperidine-1-sulfonamide?
3-[(2-methylpropylamino)methyl]-N-propan-2-ylpiperidine-1-sulfonamide has a molecular weight of 291.46 g/mol, XLogP of 1.19, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylpropylamino)methyl]-N-propan-2-ylpiperidine-1-sulfonamide is sourced from PubChem (CID 114813108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).