1-methyl-N-(2-propan-2-ylsulfonylethyl)piperidin-4-amine

C11H24N2O2S — CID 106723200

IUPAC1-methyl-N-(2-propan-2-ylsulfonylethyl)piperidin-4-amine
SMILESCC(C)S(=O)(=O)CCNC1CCN(C)CC1
InChIInChI=1S/C11H24N2O2S/c1-10(2)16(14,15)9-6-12-11-4-7-13(3)8-5-11/h10-12H,4-9H2,1-3H3
InChIKeyBPQKLEMHCWRGNO-UHFFFAOYSA-N
MW248.39 g/mol
LogP0.49
Rot. Bonds5

About 1-methyl-N-(2-propan-2-ylsulfonylethyl)piperidin-4-amine

1-methyl-N-(2-propan-2-ylsulfonylethyl)piperidin-4-amine (PubChem CID 106723200) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is 1-methyl-N-(2-propan-2-ylsulfonylethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-methyl-N-(2-propan-2-ylsulfonylethyl)piperidin-4-amine
PubChem CID106723200
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC Name1-methyl-N-(2-propan-2-ylsulfonylethyl)piperidin-4-amine
SMILESCC(C)S(=O)(=O)CCNC1CCN(C)CC1
InChIInChI=1S/C11H24N2O2S/c1-10(2)16(14,15)9-6-12-11-4-7-13(3)8-5-11/h10-12H,4-9H2,1-3H3
InChIKeyBPQKLEMHCWRGNO-UHFFFAOYSA-N
XLogP0.49
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-propan-2-ylsulfonylethyl)cyclobutanamine
CID 106723621
N-[(1-methylpiperidin-4-yl)methyl]-2-propan-2-ylsulfonylethanamine
CID 106723502
3-methyl-N-(2-propan-2-ylsulfonylethyl)cyclopentan-1-amine
CID 106724576
N-(2-propan-2-ylsulfonylethyl)-4-propylcyclohexan-1-amine
CID 106723458
1-methyl-N-(4-methylpentyl)piperidin-4-amine
CID 61043783
N,N'-bis(1-methylpiperidin-4-yl)hexane-1,6-diamine
CID 4712087
2,3-dimethyl-N-(2-propan-2-ylsulfonylethyl)cyclopentan-1-amine
CID 106723838
1-N-[2-[(1-methylpiperidin-4-yl)amino]ethyl]cyclobutane-1,3-diamine
CID 170106320
N-[2-(3-methylbutan-2-ylsulfonyl)ethyl]cyclopentanamine
CID 107757330
1-(2-propan-2-ylsulfonylethyl)-N-propylpiperidin-3-amine
CID 106721523
1-methyl-N-(3,3,3-trifluoropropyl)piperidin-4-amine
CID 60696502
5-[(1-methylpiperidin-4-yl)amino]pentan-2-ol
CID 107270322

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2-propan-2-ylsulfonylethyl)piperidin-4-amine?
The IUPAC name of 1-methyl-N-(2-propan-2-ylsulfonylethyl)piperidin-4-amine (CID 106723200) is 1-methyl-N-(2-propan-2-ylsulfonylethyl)piperidin-4-amine.
What is the SMILES notation for 1-methyl-N-(2-propan-2-ylsulfonylethyl)piperidin-4-amine?
The canonical SMILES for 1-methyl-N-(2-propan-2-ylsulfonylethyl)piperidin-4-amine is CC(C)S(=O)(=O)CCNC1CCN(C)CC1.
What is the InChIKey of 1-methyl-N-(2-propan-2-ylsulfonylethyl)piperidin-4-amine?
The InChIKey is BPQKLEMHCWRGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-10(2)16(14,15)9-6-12-11-4-7-13(3)8-5-11/h10-12H,4-9H2,1-3H3.
What are the key properties of 1-methyl-N-(2-propan-2-ylsulfonylethyl)piperidin-4-amine?
1-methyl-N-(2-propan-2-ylsulfonylethyl)piperidin-4-amine has a molecular weight of 248.39 g/mol, XLogP of 0.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-propan-2-ylsulfonylethyl)piperidin-4-amine is sourced from PubChem (CID 106723200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).