(2S)-2-methyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine

C16H24N2O4S2 — CID 1168281

IUPAC(2S)-2-methyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine
SMILESC[C@H]1CCCCN1S(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C16H24N2O4S2/c1-14-6-2-3-13-18(14)24(21,22)16-9-7-15(8-10-16)23(19,20)17-11-4-5-12-17/h7-10,14H,2-6,11-13H2,1H3/t14-/m0/s1
InChIKeyFXNHDGVNGTVCJA-AWEZNQCLSA-N
MW372.51 g/mol
LogP2.03
Rot. Bonds4

About (2S)-2-methyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine

(2S)-2-methyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine (PubChem CID 1168281) has the molecular formula C16H24N2O4S2 and a molecular weight of 372.51 g/mol. Its IUPAC name is (2S)-2-methyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name(2S)-2-methyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine
PubChem CID1168281
Molecular FormulaC16H24N2O4S2
Molecular Weight372.51 g/mol
Exact Mass372.12
IUPAC Name(2S)-2-methyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine
SMILESC[C@H]1CCCCN1S(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C16H24N2O4S2/c1-14-6-2-3-13-18(14)24(21,22)16-9-7-15(8-10-16)23(19,20)17-11-4-5-12-17/h7-10,14H,2-6,11-13H2,1H3/t14-/m0/s1
InChIKeyFXNHDGVNGTVCJA-AWEZNQCLSA-N
XLogP2.03
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(4-chlorophenyl)sulfonyl-2-methylpiperidine
CID 668791
1-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]sulfonyl-4-phenylpiperazine
CID 3192476
(2S)-2-methyl-1-(4-nitrophenyl)sulfonylpiperidine
CID 779289
2-methyl-1-(4-propylphenyl)sulfonylpiperidine
CID 17375823
1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidine
CID 60974394
ethane;(2S)-2-methyl-1-(4-methylphenyl)sulfonylpyrrolidine
CID 156877690
(2R)-1-(4-ethoxyphenyl)sulfonyl-2-methylpiperidine
CID 847002
1-(3,4-difluorophenyl)sulfonyl-2-methylpiperidine
CID 3701058
methyl 4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzoate
CID 787656
1-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]azetidin-2-one
CID 71653935
(2-methylpiperidin-1-yl)-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]methanone
CID 631597
2-methyl-1-naphthalen-2-ylsulfonylpiperidine
CID 3745150

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine?
The IUPAC name of (2S)-2-methyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine (CID 1168281) is (2S)-2-methyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine.
What is the SMILES notation for (2S)-2-methyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine?
The canonical SMILES for (2S)-2-methyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine is C[C@H]1CCCCN1S(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of (2S)-2-methyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine?
The InChIKey is FXNHDGVNGTVCJA-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H24N2O4S2/c1-14-6-2-3-13-18(14)24(21,22)16-9-7-15(8-10-16)23(19,20)17-11-4-5-12-17/h7-10,14H,2-6,11-13H2,1H3/t14-/m0/s1.
What are the key properties of (2S)-2-methyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine?
(2S)-2-methyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine has a molecular weight of 372.51 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine is sourced from PubChem (CID 1168281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).