1-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2,3-dihydropyrrolo[3,2-c]pyridine

C13H19N3O2S — CID 99817972

IUPAC1-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2,3-dihydropyrrolo[3,2-c]pyridine
SMILESC[C@H]1CCCN(S(=O)(=O)N2CCc3cnccc32)C1
InChIInChI=1S/C13H19N3O2S/c1-11-3-2-7-15(10-11)19(17,18)16-8-5-12-9-14-6-4-13(12)16/h4,6,9,11H,2-3,5,7-8,10H2,1H3/t11-/m0/s1
InChIKeyAOOHUONVASHBGX-NSHDSACASA-N
MW281.38 g/mol
LogP1.42
Rot. Bonds2

About 1-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2,3-dihydropyrrolo[3,2-c]pyridine

1-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2,3-dihydropyrrolo[3,2-c]pyridine (PubChem CID 99817972) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is 1-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2,3-dihydropyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name1-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2,3-dihydropyrrolo[3,2-c]pyridine
PubChem CID99817972
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC Name1-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2,3-dihydropyrrolo[3,2-c]pyridine
SMILESC[C@H]1CCCN(S(=O)(=O)N2CCc3cnccc32)C1
InChIInChI=1S/C13H19N3O2S/c1-11-3-2-7-15(10-11)19(17,18)16-8-5-12-9-14-6-4-13(12)16/h4,6,9,11H,2-3,5,7-8,10H2,1H3/t11-/m0/s1
InChIKeyAOOHUONVASHBGX-NSHDSACASA-N
XLogP1.42
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methylpiperidin-1-yl)sulfonyl-3,4-dihydro-2H-quinoline
CID 110865729
2,3-dihydropyrrolo[3,2-c]pyridine-1-sulfonamide
CID 130666144
1-(benzenesulfonyl)-2,3-dihydropyrrolo[3,2-c]pyridine
CID 86768717
4-(3-methylpiperidin-1-yl)sulfonyl-2,3-dihydro-1,4-benzoxazine
CID 110865728
1-(4-benzylpiperidin-1-yl)sulfonyl-3-methylpiperidine
CID 75872723
1-(3-methylpiperidin-1-yl)sulfonylpiperidin-3-ol
CID 43503036
1-pyrrolidin-1-ylsulfonyl-2,3-dihydroindole
CID 110705798
(3S)-1-(3-methylpiperidin-1-yl)sulfonylpiperidin-3-ol
CID 107225019
N-[1-[(3R)-3-methylpiperidin-1-yl]sulfonylpiperidin-4-yl]pyridine-3-carboxamide
CID 52508320
6,8-dimethyl-4-(3-methylpiperidin-1-yl)sulfonyl-2,3-dihydro-1,4-benzoxazine
CID 136549739
3-bromo-4-(3-methylpiperidin-1-yl)pyridine
CID 104777988
4-fluoro-1-(3-methylpiperidin-1-yl)sulfonylspiro[2H-indole-3,1'-cyclobutane]
CID 102558277

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2,3-dihydropyrrolo[3,2-c]pyridine?
The IUPAC name of 1-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2,3-dihydropyrrolo[3,2-c]pyridine (CID 99817972) is 1-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2,3-dihydropyrrolo[3,2-c]pyridine.
What is the SMILES notation for 1-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2,3-dihydropyrrolo[3,2-c]pyridine?
The canonical SMILES for 1-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2,3-dihydropyrrolo[3,2-c]pyridine is C[C@H]1CCCN(S(=O)(=O)N2CCc3cnccc32)C1.
What is the InChIKey of 1-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2,3-dihydropyrrolo[3,2-c]pyridine?
The InChIKey is AOOHUONVASHBGX-NSHDSACASA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-11-3-2-7-15(10-11)19(17,18)16-8-5-12-9-14-6-4-13(12)16/h4,6,9,11H,2-3,5,7-8,10H2,1H3/t11-/m0/s1.
What are the key properties of 1-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2,3-dihydropyrrolo[3,2-c]pyridine?
1-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2,3-dihydropyrrolo[3,2-c]pyridine has a molecular weight of 281.38 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2,3-dihydropyrrolo[3,2-c]pyridine is sourced from PubChem (CID 99817972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).