N-[2-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]ethyl]methanesulfonamide

C17H26N2O2S — CID 56739005

IUPACN-[2-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCC1CCCN(C2Cc3ccccc3C2)C1
InChIInChI=1S/C17H26N2O2S/c1-22(20,21)18-9-8-14-5-4-10-19(13-14)17-11-15-6-2-3-7-16(15)12-17/h2-3,6-7,14,17-18H,4-5,8-13H2,1H3
InChIKeySECZGRVVSWLNKF-UHFFFAOYSA-N
MW322.47 g/mol
LogP1.81
Rot. Bonds5

About N-[2-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]ethyl]methanesulfonamide

N-[2-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]ethyl]methanesulfonamide (PubChem CID 56739005) has the molecular formula C17H26N2O2S and a molecular weight of 322.47 g/mol. Its IUPAC name is N-[2-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]ethyl]methanesulfonamide
PubChem CID56739005
Molecular FormulaC17H26N2O2S
Molecular Weight322.47 g/mol
Exact Mass322.17
IUPAC NameN-[2-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCC1CCCN(C2Cc3ccccc3C2)C1
InChIInChI=1S/C17H26N2O2S/c1-22(20,21)18-9-8-14-5-4-10-19(13-14)17-11-15-6-2-3-7-16(15)12-17/h2-3,6-7,14,17-18H,4-5,8-13H2,1H3
InChIKeySECZGRVVSWLNKF-UHFFFAOYSA-N
XLogP1.81
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.47
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-3-yl]ethyl]methanesulfonamide
CID 56741459
[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl N-(2-methoxyethyl)carbamate
CID 134364400
3-[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 29182648
N-[2-[(3R)-1-[(3-methyl-1H-indol-2-yl)methyl]piperidin-3-yl]ethyl]methanesulfonamide
CID 95227221
[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl N-phenylcarbamate
CID 162665269
N-[3-oxo-3-[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]propyl]methanesulfonamide
CID 95728525
N-[2-[(3S)-1-[(6-chloro-3-pyridinyl)methyl]piperidin-3-yl]ethyl]methanesulfonamide
CID 95202887
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzenesulfonamide
CID 178110613
2-methyl-N-[2-[(3R)-1-propan-2-ylpiperidin-3-yl]ethyl]benzenesulfonamide
CID 95190119
N-[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxy-N-(2-methoxyethyl)acetamide
CID 97273009
[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 3039575
(3R)-1-(2,3-dihydro-1H-inden-2-yl)-N-phenylpiperidin-3-amine
CID 26397977

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]ethyl]methanesulfonamide (CID 56739005) is N-[2-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]ethyl]methanesulfonamide is CS(=O)(=O)NCCC1CCCN(C2Cc3ccccc3C2)C1.
What is the InChIKey of N-[2-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]ethyl]methanesulfonamide?
The InChIKey is SECZGRVVSWLNKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2S/c1-22(20,21)18-9-8-14-5-4-10-19(13-14)17-11-15-6-2-3-7-16(15)12-17/h2-3,6-7,14,17-18H,4-5,8-13H2,1H3.
What are the key properties of N-[2-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]ethyl]methanesulfonamide?
N-[2-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]ethyl]methanesulfonamide has a molecular weight of 322.47 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 56739005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).