(2R)-1-(3-methylsulfonylpiperidin-1-yl)propan-2-amine

C9H20N2O2S — CID 130715172

IUPAC(2R)-1-(3-methylsulfonylpiperidin-1-yl)propan-2-amine
SMILESC[C@@H](N)CN1CCCC(S(C)(=O)=O)C1
InChIInChI=1S/C9H20N2O2S/c1-8(10)6-11-5-3-4-9(7-11)14(2,12)13/h8-9H,3-7,10H2,1-2H3/t8-,9?/m1/s1
InChIKeyZPWUDEICSLZJFD-VEDVMXKPSA-N
MW220.34 g/mol
LogP-0.16
Rot. Bonds3

About (2R)-1-(3-methylsulfonylpiperidin-1-yl)propan-2-amine

(2R)-1-(3-methylsulfonylpiperidin-1-yl)propan-2-amine (PubChem CID 130715172) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is (2R)-1-(3-methylsulfonylpiperidin-1-yl)propan-2-amine.

Molecular Properties

Compound Name(2R)-1-(3-methylsulfonylpiperidin-1-yl)propan-2-amine
PubChem CID130715172
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC Name(2R)-1-(3-methylsulfonylpiperidin-1-yl)propan-2-amine
SMILESC[C@@H](N)CN1CCCC(S(C)(=O)=O)C1
InChIInChI=1S/C9H20N2O2S/c1-8(10)6-11-5-3-4-9(7-11)14(2,12)13/h8-9H,3-7,10H2,1-2H3/t8-,9?/m1/s1
InChIKeyZPWUDEICSLZJFD-VEDVMXKPSA-N
XLogP-0.16
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[(2S)-2-aminopropyl]piperidin-3-ol
CID 124547059
2-methyl-1-(3-methylsulfonylazepan-1-yl)propan-2-amine;hydrochloride
CID 120858030
(2S)-1-(3-ethylpiperidin-1-yl)propan-2-amine
CID 103934495
3-methylsulfonyl-1-propan-2-ylpiperidine
CID 146319566
(2R)-1-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)propan-2-amine
CID 103934627
(2R)-1-(3-methylsulfanylpiperidin-1-yl)propan-2-amine
CID 127004218
3-(3-methylsulfonylpiperidin-1-yl)propanenitrile
CID 130617291
1-(cyclopentylmethyl)-3-methylsulfonylpyrrolidine
CID 121183164
(2S)-1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-2-amine
CID 103934754
1-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-2-amine
CID 83835140
N-[1-(3-methylpiperidin-1-yl)propan-2-yl]methanesulfonamide
CID 91662016
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CID 88639332

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3-methylsulfonylpiperidin-1-yl)propan-2-amine?
The IUPAC name of (2R)-1-(3-methylsulfonylpiperidin-1-yl)propan-2-amine (CID 130715172) is (2R)-1-(3-methylsulfonylpiperidin-1-yl)propan-2-amine.
What is the SMILES notation for (2R)-1-(3-methylsulfonylpiperidin-1-yl)propan-2-amine?
The canonical SMILES for (2R)-1-(3-methylsulfonylpiperidin-1-yl)propan-2-amine is C[C@@H](N)CN1CCCC(S(C)(=O)=O)C1.
What is the InChIKey of (2R)-1-(3-methylsulfonylpiperidin-1-yl)propan-2-amine?
The InChIKey is ZPWUDEICSLZJFD-VEDVMXKPSA-N. The full InChI is InChI=1S/C9H20N2O2S/c1-8(10)6-11-5-3-4-9(7-11)14(2,12)13/h8-9H,3-7,10H2,1-2H3/t8-,9?/m1/s1.
What are the key properties of (2R)-1-(3-methylsulfonylpiperidin-1-yl)propan-2-amine?
(2R)-1-(3-methylsulfonylpiperidin-1-yl)propan-2-amine has a molecular weight of 220.34 g/mol, XLogP of -0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3-methylsulfonylpiperidin-1-yl)propan-2-amine is sourced from PubChem (CID 130715172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).