(2R)-1-(4-chlorophenyl)-N-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]propan-2-amine

C15H23ClN2O2S — CID 97116075

IUPAC(2R)-1-(4-chlorophenyl)-N-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]propan-2-amine
SMILESC[C@H](Cc1ccc(Cl)cc1)NC[C@H]1CCN(S(C)(=O)=O)C1
InChIInChI=1S/C15H23ClN2O2S/c1-12(9-13-3-5-15(16)6-4-13)17-10-14-7-8-18(11-14)21(2,19)20/h3-6,12,14,17H,7-11H2,1-2H3/t12-,14-/m1/s1
InChIKeyQQQXCYBAPQMGHR-TZMCWYRMSA-N
MW330.88 g/mol
LogP2.14
Rot. Bonds6

About (2R)-1-(4-chlorophenyl)-N-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]propan-2-amine

(2R)-1-(4-chlorophenyl)-N-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]propan-2-amine (PubChem CID 97116075) has the molecular formula C15H23ClN2O2S and a molecular weight of 330.88 g/mol. Its IUPAC name is (2R)-1-(4-chlorophenyl)-N-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name(2R)-1-(4-chlorophenyl)-N-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]propan-2-amine
PubChem CID97116075
Molecular FormulaC15H23ClN2O2S
Molecular Weight330.88 g/mol
Exact Mass330.12
IUPAC Name(2R)-1-(4-chlorophenyl)-N-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]propan-2-amine
SMILESC[C@H](Cc1ccc(Cl)cc1)NC[C@H]1CCN(S(C)(=O)=O)C1
InChIInChI=1S/C15H23ClN2O2S/c1-12(9-13-3-5-15(16)6-4-13)17-10-14-7-8-18(11-14)21(2,19)20/h3-6,12,14,17H,7-11H2,1-2H3/t12-,14-/m1/s1
InChIKeyQQQXCYBAPQMGHR-TZMCWYRMSA-N
XLogP2.14
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.88
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3S)-3-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]methylamino]butyl]phenol
CID 99640383
(1S)-1-(4-chlorophenyl)-2-methoxy-N-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]ethanamine
CID 124627015
N-[(4-chlorophenyl)methyl]-1-(1-methylsulfonylpiperidin-3-yl)methanamine
CID 79604875
1-(4-chlorophenyl)-N-(thian-4-ylmethyl)propan-2-amine
CID 103910777
1-(4-chlorophenyl)-N-(piperidin-4-ylmethyl)propan-2-amine
CID 79707723
1-[1-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine
CID 55168097
1-(4-fluorophenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propan-2-amine
CID 114829496
4-[2-[(1-ethylpyrrolidin-3-yl)methylamino]propyl]phenol
CID 115494201
1-(4-bromophenyl)-N-[(1-methylpiperidin-3-yl)methyl]propan-2-amine
CID 55099655
1-methylsulfinyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]propan-2-amine
CID 113486455
N-[1-(4-bromophenyl)propan-2-yl]-1-methylsulfonylpiperidin-4-amine
CID 103779237
1-(4-chlorophenyl)-3-(1-methylsulfonylpiperidin-3-yl)propan-2-one
CID 79611252

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-chlorophenyl)-N-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]propan-2-amine?
The IUPAC name of (2R)-1-(4-chlorophenyl)-N-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]propan-2-amine (CID 97116075) is (2R)-1-(4-chlorophenyl)-N-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]propan-2-amine.
What is the SMILES notation for (2R)-1-(4-chlorophenyl)-N-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]propan-2-amine?
The canonical SMILES for (2R)-1-(4-chlorophenyl)-N-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]propan-2-amine is C[C@H](Cc1ccc(Cl)cc1)NC[C@H]1CCN(S(C)(=O)=O)C1.
What is the InChIKey of (2R)-1-(4-chlorophenyl)-N-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]propan-2-amine?
The InChIKey is QQQXCYBAPQMGHR-TZMCWYRMSA-N. The full InChI is InChI=1S/C15H23ClN2O2S/c1-12(9-13-3-5-15(16)6-4-13)17-10-14-7-8-18(11-14)21(2,19)20/h3-6,12,14,17H,7-11H2,1-2H3/t12-,14-/m1/s1.
What are the key properties of (2R)-1-(4-chlorophenyl)-N-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]propan-2-amine?
(2R)-1-(4-chlorophenyl)-N-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]propan-2-amine has a molecular weight of 330.88 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-chlorophenyl)-N-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 97116075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).