N-[(3S)-1-[(2R)-2,3-dihydro-1H-indole-2-carbonyl]piperidin-3-yl]methanesulfonamide

C15H21N3O3S — CID 129323229

IUPACN-[(3S)-1-[(2R)-2,3-dihydro-1H-indole-2-carbonyl]piperidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)N[C@H]1CCCN(C(=O)[C@H]2Cc3ccccc3N2)C1
InChIInChI=1S/C15H21N3O3S/c1-22(20,21)17-12-6-4-8-18(10-12)15(19)14-9-11-5-2-3-7-13(11)16-14/h2-3,5,7,12,14,16-17H,4,6,8-10H2,1H3/t12-,14+/m0/s1
InChIKeyDGPLSVDPYXBBTK-GXTWGEPZSA-N
MW323.42 g/mol
LogP0.56
Rot. Bonds3

About N-[(3S)-1-[(2R)-2,3-dihydro-1H-indole-2-carbonyl]piperidin-3-yl]methanesulfonamide

N-[(3S)-1-[(2R)-2,3-dihydro-1H-indole-2-carbonyl]piperidin-3-yl]methanesulfonamide (PubChem CID 129323229) has the molecular formula C15H21N3O3S and a molecular weight of 323.42 g/mol. Its IUPAC name is N-[(3S)-1-[(2R)-2,3-dihydro-1H-indole-2-carbonyl]piperidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(3S)-1-[(2R)-2,3-dihydro-1H-indole-2-carbonyl]piperidin-3-yl]methanesulfonamide
PubChem CID129323229
Molecular FormulaC15H21N3O3S
Molecular Weight323.42 g/mol
Exact Mass323.13
IUPAC NameN-[(3S)-1-[(2R)-2,3-dihydro-1H-indole-2-carbonyl]piperidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)N[C@H]1CCCN(C(=O)[C@H]2Cc3ccccc3N2)C1
InChIInChI=1S/C15H21N3O3S/c1-22(20,21)17-12-6-4-8-18(10-12)15(19)14-9-11-5-2-3-7-13(11)16-14/h2-3,5,7,12,14,16-17H,4,6,8-10H2,1H3/t12-,14+/m0/s1
InChIKeyDGPLSVDPYXBBTK-GXTWGEPZSA-N
XLogP0.56
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[(2R)-2,3-dihydro-1H-indole-2-carbonyl]piperidin-3-yl]methanesulfonamide?
The IUPAC name of N-[(3S)-1-[(2R)-2,3-dihydro-1H-indole-2-carbonyl]piperidin-3-yl]methanesulfonamide (CID 129323229) is N-[(3S)-1-[(2R)-2,3-dihydro-1H-indole-2-carbonyl]piperidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[(3S)-1-[(2R)-2,3-dihydro-1H-indole-2-carbonyl]piperidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[(3S)-1-[(2R)-2,3-dihydro-1H-indole-2-carbonyl]piperidin-3-yl]methanesulfonamide is CS(=O)(=O)N[C@H]1CCCN(C(=O)[C@H]2Cc3ccccc3N2)C1.
What is the InChIKey of N-[(3S)-1-[(2R)-2,3-dihydro-1H-indole-2-carbonyl]piperidin-3-yl]methanesulfonamide?
The InChIKey is DGPLSVDPYXBBTK-GXTWGEPZSA-N. The full InChI is InChI=1S/C15H21N3O3S/c1-22(20,21)17-12-6-4-8-18(10-12)15(19)14-9-11-5-2-3-7-13(11)16-14/h2-3,5,7,12,14,16-17H,4,6,8-10H2,1H3/t12-,14+/m0/s1.
What are the key properties of N-[(3S)-1-[(2R)-2,3-dihydro-1H-indole-2-carbonyl]piperidin-3-yl]methanesulfonamide?
N-[(3S)-1-[(2R)-2,3-dihydro-1H-indole-2-carbonyl]piperidin-3-yl]methanesulfonamide has a molecular weight of 323.42 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[(2R)-2,3-dihydro-1H-indole-2-carbonyl]piperidin-3-yl]methanesulfonamide is sourced from PubChem (CID 129323229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).