(3-aminopiperidin-1-yl)-(1-methylsulfonyl-2,3-dihydroindol-5-yl)methanone

C15H21N3O3S — CID 119378639

IUPAC(3-aminopiperidin-1-yl)-(1-methylsulfonyl-2,3-dihydroindol-5-yl)methanone
SMILESCS(=O)(=O)N1CCc2cc(C(=O)N3CCCC(N)C3)ccc21
InChIInChI=1S/C15H21N3O3S/c1-22(20,21)18-8-6-11-9-12(4-5-14(11)18)15(19)17-7-2-3-13(16)10-17/h4-5,9,13H,2-3,6-8,10,16H2,1H3
InChIKeyFUCJHKCRYUDCAC-UHFFFAOYSA-N
MW323.42 g/mol
LogP0.57
Rot. Bonds2

About (3-aminopiperidin-1-yl)-(1-methylsulfonyl-2,3-dihydroindol-5-yl)methanone

(3-aminopiperidin-1-yl)-(1-methylsulfonyl-2,3-dihydroindol-5-yl)methanone (PubChem CID 119378639) has the molecular formula C15H21N3O3S and a molecular weight of 323.42 g/mol. Its IUPAC name is (3-aminopiperidin-1-yl)-(1-methylsulfonyl-2,3-dihydroindol-5-yl)methanone.

Molecular Properties

Compound Name(3-aminopiperidin-1-yl)-(1-methylsulfonyl-2,3-dihydroindol-5-yl)methanone
PubChem CID119378639
Molecular FormulaC15H21N3O3S
Molecular Weight323.42 g/mol
Exact Mass323.13
IUPAC Name(3-aminopiperidin-1-yl)-(1-methylsulfonyl-2,3-dihydroindol-5-yl)methanone
SMILESCS(=O)(=O)N1CCc2cc(C(=O)N3CCCC(N)C3)ccc21
InChIInChI=1S/C15H21N3O3S/c1-22(20,21)18-8-6-11-9-12(4-5-14(11)18)15(19)17-7-2-3-13(16)10-17/h4-5,9,13H,2-3,6-8,10,16H2,1H3
InChIKeyFUCJHKCRYUDCAC-UHFFFAOYSA-N
XLogP0.57
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-methylsulfonyl-2,3-dihydroindol-5-yl)-pyrrolidin-1-ylmethanone
CID 4267246
(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 78893652
[4-(1-aminoethyl)piperidin-1-yl]-(1-methylsulfonyl-2,3-dihydroindol-5-yl)methanone
CID 119518081
N-butyl-1-(1-methylsulfonyl-2,3-dihydroindole-5-carbonyl)piperidine-3-carboxamide
CID 49407361
(3-aminopiperidin-1-yl)-(2,3-dihydro-1H-inden-5-yl)methanone
CID 61298118
1-(1-methylsulfonyl-2,3-dihydroindole-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 119355681
(3,5-dimethylpiperidin-1-yl)-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)methanone
CID 43016800
(3-methylpiperazin-1-yl)-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)methanone;hydrochloride
CID 119577502
2-[4-(1-methylsulfonyl-2,3-dihydroindole-5-carbonyl)morpholin-2-yl]acetic acid
CID 119248398
(3-aminopiperidin-1-yl)-(4-methyl-3-methylsulfonylphenyl)methanone;hydrochloride
CID 119378692
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)methanone
CID 120656165
[4-(1-methylsulfonyl-2,3-dihydroindole-5-carbonyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 46399495

Frequently Asked Questions

What is the IUPAC name of (3-aminopiperidin-1-yl)-(1-methylsulfonyl-2,3-dihydroindol-5-yl)methanone?
The IUPAC name of (3-aminopiperidin-1-yl)-(1-methylsulfonyl-2,3-dihydroindol-5-yl)methanone (CID 119378639) is (3-aminopiperidin-1-yl)-(1-methylsulfonyl-2,3-dihydroindol-5-yl)methanone.
What is the SMILES notation for (3-aminopiperidin-1-yl)-(1-methylsulfonyl-2,3-dihydroindol-5-yl)methanone?
The canonical SMILES for (3-aminopiperidin-1-yl)-(1-methylsulfonyl-2,3-dihydroindol-5-yl)methanone is CS(=O)(=O)N1CCc2cc(C(=O)N3CCCC(N)C3)ccc21.
What is the InChIKey of (3-aminopiperidin-1-yl)-(1-methylsulfonyl-2,3-dihydroindol-5-yl)methanone?
The InChIKey is FUCJHKCRYUDCAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3S/c1-22(20,21)18-8-6-11-9-12(4-5-14(11)18)15(19)17-7-2-3-13(16)10-17/h4-5,9,13H,2-3,6-8,10,16H2,1H3.
What are the key properties of (3-aminopiperidin-1-yl)-(1-methylsulfonyl-2,3-dihydroindol-5-yl)methanone?
(3-aminopiperidin-1-yl)-(1-methylsulfonyl-2,3-dihydroindol-5-yl)methanone has a molecular weight of 323.42 g/mol, XLogP of 0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopiperidin-1-yl)-(1-methylsulfonyl-2,3-dihydroindol-5-yl)methanone is sourced from PubChem (CID 119378639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).