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

C14H31N3O2S — CID 63878251

IUPACN-methyl-3-[(2-methylpropylamino)methyl]-N-propan-2-ylpiperidine-1-sulfonamide
SMILESCC(C)CNCC1CCCN(S(=O)(=O)N(C)C(C)C)C1
InChIInChI=1S/C14H31N3O2S/c1-12(2)9-15-10-14-7-6-8-17(11-14)20(18,19)16(5)13(3)4/h12-15H,6-11H2,1-5H3
InChIKeyXZUANCYQPIWEJA-UHFFFAOYSA-N
MW305.49 g/mol
LogP1.53
Rot. Bonds7

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

N-methyl-3-[(2-methylpropylamino)methyl]-N-propan-2-ylpiperidine-1-sulfonamide (PubChem CID 63878251) has the molecular formula C14H31N3O2S and a molecular weight of 305.49 g/mol. Its IUPAC name is N-methyl-3-[(2-methylpropylamino)methyl]-N-propan-2-ylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-methyl-3-[(2-methylpropylamino)methyl]-N-propan-2-ylpiperidine-1-sulfonamide
PubChem CID63878251
Molecular FormulaC14H31N3O2S
Molecular Weight305.49 g/mol
Exact Mass305.21
IUPAC NameN-methyl-3-[(2-methylpropylamino)methyl]-N-propan-2-ylpiperidine-1-sulfonamide
SMILESCC(C)CNCC1CCCN(S(=O)(=O)N(C)C(C)C)C1
InChIInChI=1S/C14H31N3O2S/c1-12(2)9-15-10-14-7-6-8-17(11-14)20(18,19)16(5)13(3)4/h12-15H,6-11H2,1-5H3
InChIKeyXZUANCYQPIWEJA-UHFFFAOYSA-N
XLogP1.53
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.49
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-methylpropylamino)methyl]-N-propan-2-ylpiperidine-1-sulfonamide
CID 114813108
2-methyl-N-[[1-(methylsulfonylmethylsulfonyl)piperidin-3-yl]methyl]propan-1-amine
CID 82843502
2-methyl-N-[[1-(oxan-4-ylsulfonyl)piperidin-3-yl]methyl]propan-1-amine
CID 63878590
N-(2-methoxyethyl)-3-[(2-methylpropylamino)methyl]piperidine-1-sulfonamide
CID 114816829
3-methyl-4-[(1-methylsulfonylpiperidin-3-yl)methylamino]butan-1-ol
CID 79613327
2-methyl-N-[(1-piperidin-1-ylsulfonylpiperidin-4-yl)methyl]propan-1-amine
CID 63878573
7-methyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]octan-1-amine
CID 107814961
2-methyl-N-[[1-(2-methylpropyl)piperidin-3-yl]methyl]propan-1-amine
CID 62591662
3-(bromomethyl)-N-methyl-N-propan-2-ylpyrrolidine-1-sulfonamide
CID 80674172
N,N-dimethyl-3-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]propanamide
CID 63849354
1-(1-methylsulfonylpiperidin-3-yl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]methanamine
CID 79612064
N-[[1-(2-tert-butylsulfonylethyl)piperidin-3-yl]methyl]-2-methylpropan-1-amine
CID 106725817

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(2-methylpropylamino)methyl]-N-propan-2-ylpiperidine-1-sulfonamide?
The IUPAC name of N-methyl-3-[(2-methylpropylamino)methyl]-N-propan-2-ylpiperidine-1-sulfonamide (CID 63878251) is N-methyl-3-[(2-methylpropylamino)methyl]-N-propan-2-ylpiperidine-1-sulfonamide.
What is the SMILES notation for N-methyl-3-[(2-methylpropylamino)methyl]-N-propan-2-ylpiperidine-1-sulfonamide?
The canonical SMILES for N-methyl-3-[(2-methylpropylamino)methyl]-N-propan-2-ylpiperidine-1-sulfonamide is CC(C)CNCC1CCCN(S(=O)(=O)N(C)C(C)C)C1.
What is the InChIKey of N-methyl-3-[(2-methylpropylamino)methyl]-N-propan-2-ylpiperidine-1-sulfonamide?
The InChIKey is XZUANCYQPIWEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O2S/c1-12(2)9-15-10-14-7-6-8-17(11-14)20(18,19)16(5)13(3)4/h12-15H,6-11H2,1-5H3.
What are the key properties of N-methyl-3-[(2-methylpropylamino)methyl]-N-propan-2-ylpiperidine-1-sulfonamide?
N-methyl-3-[(2-methylpropylamino)methyl]-N-propan-2-ylpiperidine-1-sulfonamide has a molecular weight of 305.49 g/mol, XLogP of 1.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(2-methylpropylamino)methyl]-N-propan-2-ylpiperidine-1-sulfonamide is sourced from PubChem (CID 63878251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).