(3S)-1-ethylsulfonyl-N-methylpiperidin-3-amine

C8H18N2O2S — CID 94476004

IUPAC(3S)-1-ethylsulfonyl-N-methylpiperidin-3-amine
SMILESCCS(=O)(=O)N1CCC[C@H](NC)C1
InChIInChI=1S/C8H18N2O2S/c1-3-13(11,12)10-6-4-5-8(7-10)9-2/h8-9H,3-7H2,1-2H3/t8-/m0/s1
InChIKeyHJUYDWXOZMIGHA-QMMMGPOBSA-N
MW206.31 g/mol
LogP0.02
Rot. Bonds3

About (3S)-1-ethylsulfonyl-N-methylpiperidin-3-amine

(3S)-1-ethylsulfonyl-N-methylpiperidin-3-amine (PubChem CID 94476004) has the molecular formula C8H18N2O2S and a molecular weight of 206.31 g/mol. Its IUPAC name is (3S)-1-ethylsulfonyl-N-methylpiperidin-3-amine.

Molecular Properties

Compound Name(3S)-1-ethylsulfonyl-N-methylpiperidin-3-amine
PubChem CID94476004
Molecular FormulaC8H18N2O2S
Molecular Weight206.31 g/mol
Exact Mass206.11
IUPAC Name(3S)-1-ethylsulfonyl-N-methylpiperidin-3-amine
SMILESCCS(=O)(=O)N1CCC[C@H](NC)C1
InChIInChI=1S/C8H18N2O2S/c1-3-13(11,12)10-6-4-5-8(7-10)9-2/h8-9H,3-7H2,1-2H3/t8-/m0/s1
InChIKeyHJUYDWXOZMIGHA-QMMMGPOBSA-N
XLogP0.02
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethylsulfonyl-N-methylpyrrolidin-3-amine
CID 83698131
N-methyl-1-(3-methylbutylsulfonyl)piperidin-3-amine
CID 63856793
1-(cyclohexylmethylsulfonyl)-N-methylpiperidin-3-amine;hydrochloride
CID 120715396
(1-ethylsulfonylpiperidin-3-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119490378
N-methyl-1-[(4-methylphenyl)methylsulfonyl]piperidin-3-amine
CID 110868419
1-benzylsulfonyl-N-methylpiperidin-3-amine;hydrochloride
CID 120714938
1-[(4-fluorophenyl)methylsulfonyl]-N-methylpiperidin-3-amine;hydrochloride
CID 120714805
N-[(3S)-1-ethylsulfonylpiperidin-3-yl]benzenesulfonamide
CID 95310247
N-(1-propylsulfonylpiperidin-3-yl)acetamide
CID 61384209
(3S)-N-cyclooctyl-1-ethylsulfonylpiperidine-3-carboxamide
CID 41447237
2-[3-[3-(methylamino)piperidin-1-yl]sulfonylpropyl]isoindole-1,3-dione
CID 120715473
1-(2-ethoxyethylsulfonyl)-N-methylpyrrolidin-3-amine
CID 115300302

Frequently Asked Questions

What is the IUPAC name of (3S)-1-ethylsulfonyl-N-methylpiperidin-3-amine?
The IUPAC name of (3S)-1-ethylsulfonyl-N-methylpiperidin-3-amine (CID 94476004) is (3S)-1-ethylsulfonyl-N-methylpiperidin-3-amine.
What is the SMILES notation for (3S)-1-ethylsulfonyl-N-methylpiperidin-3-amine?
The canonical SMILES for (3S)-1-ethylsulfonyl-N-methylpiperidin-3-amine is CCS(=O)(=O)N1CCC[C@H](NC)C1.
What is the InChIKey of (3S)-1-ethylsulfonyl-N-methylpiperidin-3-amine?
The InChIKey is HJUYDWXOZMIGHA-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H18N2O2S/c1-3-13(11,12)10-6-4-5-8(7-10)9-2/h8-9H,3-7H2,1-2H3/t8-/m0/s1.
What are the key properties of (3S)-1-ethylsulfonyl-N-methylpiperidin-3-amine?
(3S)-1-ethylsulfonyl-N-methylpiperidin-3-amine has a molecular weight of 206.31 g/mol, XLogP of 0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-ethylsulfonyl-N-methylpiperidin-3-amine is sourced from PubChem (CID 94476004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).