1-amino-N-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]ethanesulfonamide

C12H27N3O2S — CID 167136597

IUPAC1-amino-N-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]ethanesulfonamide
SMILESCC(C)CN1CCC(N(C)S(=O)(=O)C(C)N)CC1
InChIInChI=1S/C12H27N3O2S/c1-10(2)9-15-7-5-12(6-8-15)14(4)18(16,17)11(3)13/h10-12H,5-9,13H2,1-4H3
InChIKeyYNHKFQZEHQGQSW-UHFFFAOYSA-N
MW277.43 g/mol
LogP0.67
Rot. Bonds5

About 1-amino-N-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]ethanesulfonamide

1-amino-N-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]ethanesulfonamide (PubChem CID 167136597) has the molecular formula C12H27N3O2S and a molecular weight of 277.43 g/mol. Its IUPAC name is 1-amino-N-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]ethanesulfonamide.

Molecular Properties

Compound Name1-amino-N-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]ethanesulfonamide
PubChem CID167136597
Molecular FormulaC12H27N3O2S
Molecular Weight277.43 g/mol
Exact Mass277.18
IUPAC Name1-amino-N-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]ethanesulfonamide
SMILESCC(C)CN1CCC(N(C)S(=O)(=O)C(C)N)CC1
InChIInChI=1S/C12H27N3O2S/c1-10(2)9-15-7-5-12(6-8-15)14(4)18(16,17)11(3)13/h10-12H,5-9,13H2,1-4H3
InChIKeyYNHKFQZEHQGQSW-UHFFFAOYSA-N
XLogP0.67
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N,1-bis(2-methylpropyl)piperidin-4-amine
CID 138728386
methane;N-methyl-N,1-bis(2-methylpropyl)piperidin-4-amine
CID 162017171
ethane;N-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]acetamide
CID 155739583
N,N-dimethyl-1-(2-methylpropyl)piperidine-4-carboxamide
CID 59603411
4-chloro-1-(2-methylpropyl)piperidine
CID 63389166
methane;N-methyl-3-[1-(2-methylpropyl)piperidin-4-yl]oxy-N-propan-2-ylpropan-1-amine
CID 167687218
2-amino-N-[1-(2-methylpropyl)piperidin-4-yl]propanamide
CID 83623800
1-(2-methylpropyl)-N-(methylsulfamoyl)piperidin-4-amine
CID 174864590
N,N-dimethyl-3-[1-(2-methylpropyl)piperidin-4-yl]oxypropan-1-amine
CID 169214901
N-cyclopent-3-en-1-yl-1-(2-methylpropyl)piperidin-4-amine
CID 115728351
N-(4-methylphenyl)-N-[1-(2-methylpropyl)piperidin-4-yl]benzenesulfonamide
CID 46055235
4-(4-fluorophenyl)sulfonyl-1-(2-methylpropyl)piperidine
CID 174897155

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]ethanesulfonamide?
The IUPAC name of 1-amino-N-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]ethanesulfonamide (CID 167136597) is 1-amino-N-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]ethanesulfonamide.
What is the SMILES notation for 1-amino-N-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]ethanesulfonamide?
The canonical SMILES for 1-amino-N-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]ethanesulfonamide is CC(C)CN1CCC(N(C)S(=O)(=O)C(C)N)CC1.
What is the InChIKey of 1-amino-N-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]ethanesulfonamide?
The InChIKey is YNHKFQZEHQGQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O2S/c1-10(2)9-15-7-5-12(6-8-15)14(4)18(16,17)11(3)13/h10-12H,5-9,13H2,1-4H3.
What are the key properties of 1-amino-N-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]ethanesulfonamide?
1-amino-N-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]ethanesulfonamide has a molecular weight of 277.43 g/mol, XLogP of 0.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]ethanesulfonamide is sourced from PubChem (CID 167136597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).