[(2S)-1-[(2-chlorophenyl)methylsulfonyl]pyrrolidin-2-yl]-(4-methylpiperidin-1-yl)methanone

C18H25ClN2O3S — CID 110285967

IUPAC[(2S)-1-[(2-chlorophenyl)methylsulfonyl]pyrrolidin-2-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)Cc2ccccc2Cl)CC1
InChIInChI=1S/C18H25ClN2O3S/c1-14-8-11-20(12-9-14)18(22)17-7-4-10-21(17)25(23,24)13-15-5-2-3-6-16(15)19/h2-3,5-6,14,17H,4,7-13H2,1H3/t17-/m0/s1
InChIKeyDMWKMUPUSJSRQO-KRWDZBQOSA-N
MW384.93 g/mol
LogP2.89
Rot. Bonds4

About [(2S)-1-[(2-chlorophenyl)methylsulfonyl]pyrrolidin-2-yl]-(4-methylpiperidin-1-yl)methanone

[(2S)-1-[(2-chlorophenyl)methylsulfonyl]pyrrolidin-2-yl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 110285967) has the molecular formula C18H25ClN2O3S and a molecular weight of 384.93 g/mol. Its IUPAC name is [(2S)-1-[(2-chlorophenyl)methylsulfonyl]pyrrolidin-2-yl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[(2S)-1-[(2-chlorophenyl)methylsulfonyl]pyrrolidin-2-yl]-(4-methylpiperidin-1-yl)methanone
PubChem CID110285967
Molecular FormulaC18H25ClN2O3S
Molecular Weight384.93 g/mol
Exact Mass384.13
IUPAC Name[(2S)-1-[(2-chlorophenyl)methylsulfonyl]pyrrolidin-2-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)Cc2ccccc2Cl)CC1
InChIInChI=1S/C18H25ClN2O3S/c1-14-8-11-20(12-9-14)18(22)17-7-4-10-21(17)25(23,24)13-15-5-2-3-6-16(15)19/h2-3,5-6,14,17H,4,7-13H2,1H3/t17-/m0/s1
InChIKeyDMWKMUPUSJSRQO-KRWDZBQOSA-N
XLogP2.89
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.93
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-chlorophenyl)methylsulfonyl]-3-methylpyrrolidine
CID 110749811
3-(2-chlorophenyl)-1-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 47067210
[(2S)-1-[(6-chloro-3-pyridinyl)sulfonyl]pyrrolidin-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 110305811
[1-[(2-chlorophenyl)methylsulfonyl]piperidin-2-yl]methanamine;hydrochloride
CID 119969227
[(2S)-1-cyclopentylsulfonylpyrrolidin-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 110305825
2-(2-chlorophenyl)-1-[(2S)-2-(4-methylpiperazine-1-carbonyl)pyrrolidin-1-yl]ethanone
CID 94161042
N-[(2-chlorophenyl)methyl]-1-propylsulfonylpyrrolidine-2-carboxamide
CID 51240584
[4-[(2-chlorophenyl)methylsulfonyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 110817829
(2S)-1,4-bis[(2-chlorophenyl)methylsulfonyl]-2-methylpiperazine
CID 41301352
N-[1-(2-chlorophenyl)propan-2-yl]-4-methylpiperidine-1-carboxamide
CID 110675399
2-[(2-chlorophenyl)methylamino]-1-(3-methylpiperidin-1-yl)ethanone
CID 108997960
1-[(2-chlorophenyl)methylsulfonyl]-3,5-dimethylpiperidine
CID 17257572

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[(2-chlorophenyl)methylsulfonyl]pyrrolidin-2-yl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [(2S)-1-[(2-chlorophenyl)methylsulfonyl]pyrrolidin-2-yl]-(4-methylpiperidin-1-yl)methanone (CID 110285967) is [(2S)-1-[(2-chlorophenyl)methylsulfonyl]pyrrolidin-2-yl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [(2S)-1-[(2-chlorophenyl)methylsulfonyl]pyrrolidin-2-yl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [(2S)-1-[(2-chlorophenyl)methylsulfonyl]pyrrolidin-2-yl]-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)Cc2ccccc2Cl)CC1.
What is the InChIKey of [(2S)-1-[(2-chlorophenyl)methylsulfonyl]pyrrolidin-2-yl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is DMWKMUPUSJSRQO-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H25ClN2O3S/c1-14-8-11-20(12-9-14)18(22)17-7-4-10-21(17)25(23,24)13-15-5-2-3-6-16(15)19/h2-3,5-6,14,17H,4,7-13H2,1H3/t17-/m0/s1.
What are the key properties of [(2S)-1-[(2-chlorophenyl)methylsulfonyl]pyrrolidin-2-yl]-(4-methylpiperidin-1-yl)methanone?
[(2S)-1-[(2-chlorophenyl)methylsulfonyl]pyrrolidin-2-yl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 384.93 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[(2-chlorophenyl)methylsulfonyl]pyrrolidin-2-yl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 110285967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).