4-[(2-methylpropylamino)methyl]-N-propylpiperidine-1-sulfonamide

C13H29N3O2S — CID 114813088

IUPAC4-[(2-methylpropylamino)methyl]-N-propylpiperidine-1-sulfonamide
SMILESCCCNS(=O)(=O)N1CCC(CNCC(C)C)CC1
InChIInChI=1S/C13H29N3O2S/c1-4-7-15-19(17,18)16-8-5-13(6-9-16)11-14-10-12(2)3/h12-15H,4-11H2,1-3H3
InChIKeyFEUYFDYCXSPLEM-UHFFFAOYSA-N
MW291.46 g/mol
LogP1.19
Rot. Bonds8

About 4-[(2-methylpropylamino)methyl]-N-propylpiperidine-1-sulfonamide

4-[(2-methylpropylamino)methyl]-N-propylpiperidine-1-sulfonamide (PubChem CID 114813088) has the molecular formula C13H29N3O2S and a molecular weight of 291.46 g/mol. Its IUPAC name is 4-[(2-methylpropylamino)methyl]-N-propylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name4-[(2-methylpropylamino)methyl]-N-propylpiperidine-1-sulfonamide
PubChem CID114813088
Molecular FormulaC13H29N3O2S
Molecular Weight291.46 g/mol
Exact Mass291.20
IUPAC Name4-[(2-methylpropylamino)methyl]-N-propylpiperidine-1-sulfonamide
SMILESCCCNS(=O)(=O)N1CCC(CNCC(C)C)CC1
InChIInChI=1S/C13H29N3O2S/c1-4-7-15-19(17,18)16-8-5-13(6-9-16)11-14-10-12(2)3/h12-15H,4-11H2,1-3H3
InChIKeyFEUYFDYCXSPLEM-UHFFFAOYSA-N
XLogP1.19
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
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-[(1-ethylsulfonylpiperidin-4-yl)methyl]-2-methylpropan-1-amine
CID 63878751
N-(2,2-difluoroethyl)-4-(propylaminomethyl)piperidine-1-sulfonamide
CID 115409103
N-(2-ethoxypropyl)-4-(propylaminomethyl)piperidine-1-sulfonamide
CID 106078679
N-[(1-butylsulfonylpiperidin-4-yl)methyl]-2-methylpropan-1-amine
CID 63878575
2-methyl-N-[(1-piperidin-1-ylsulfonylpiperidin-4-yl)methyl]propan-1-amine
CID 63878573
N-[(1-cyclohexylsulfonylpiperidin-4-yl)methyl]-2-methylpropan-1-amine
CID 63879103
N-[2-(dimethylamino)propyl]-4-(ethylaminomethyl)piperidine-1-sulfonamide
CID 106017143
N-(2-methoxyethyl)-3-[(2-methylpropylamino)methyl]piperidine-1-sulfonamide
CID 114816829
N',N'-dimethyl-4-(propylaminomethyl)piperidine-1-sulfonohydrazide
CID 114141798
N-(cyclopentylmethyl)-4-(ethylaminomethyl)piperidine-1-sulfonamide
CID 106026641
4-[(cyclopropylamino)methyl]-N-(4-methylpentyl)piperidine-1-sulfonamide
CID 106017048
4-(ethylaminomethyl)-N-(4-methoxybutyl)piperidine-1-sulfonamide
CID 106053929

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylpropylamino)methyl]-N-propylpiperidine-1-sulfonamide?
The IUPAC name of 4-[(2-methylpropylamino)methyl]-N-propylpiperidine-1-sulfonamide (CID 114813088) is 4-[(2-methylpropylamino)methyl]-N-propylpiperidine-1-sulfonamide.
What is the SMILES notation for 4-[(2-methylpropylamino)methyl]-N-propylpiperidine-1-sulfonamide?
The canonical SMILES for 4-[(2-methylpropylamino)methyl]-N-propylpiperidine-1-sulfonamide is CCCNS(=O)(=O)N1CCC(CNCC(C)C)CC1.
What is the InChIKey of 4-[(2-methylpropylamino)methyl]-N-propylpiperidine-1-sulfonamide?
The InChIKey is FEUYFDYCXSPLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O2S/c1-4-7-15-19(17,18)16-8-5-13(6-9-16)11-14-10-12(2)3/h12-15H,4-11H2,1-3H3.
What are the key properties of 4-[(2-methylpropylamino)methyl]-N-propylpiperidine-1-sulfonamide?
4-[(2-methylpropylamino)methyl]-N-propylpiperidine-1-sulfonamide has a molecular weight of 291.46 g/mol, XLogP of 1.19, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylpropylamino)methyl]-N-propylpiperidine-1-sulfonamide is sourced from PubChem (CID 114813088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).