N-[[1-(1-ethylindole-3-carbonyl)piperidin-2-yl]methyl]methanesulfonamide

C18H25N3O3S — CID 47029988

IUPACN-[[1-(1-ethylindole-3-carbonyl)piperidin-2-yl]methyl]methanesulfonamide
SMILESCCn1cc(C(=O)N2CCCCC2CNS(C)(=O)=O)c2ccccc21
InChIInChI=1S/C18H25N3O3S/c1-3-20-13-16(15-9-4-5-10-17(15)20)18(22)21-11-7-6-8-14(21)12-19-25(2,23)24/h4-5,9-10,13-14,19H,3,6-8,11-12H2,1-2H3
InChIKeyJHKMUZIBVFBBGV-UHFFFAOYSA-N
MW363.48 g/mol
LogP2.21
Rot. Bonds5

About N-[[1-(1-ethylindole-3-carbonyl)piperidin-2-yl]methyl]methanesulfonamide

N-[[1-(1-ethylindole-3-carbonyl)piperidin-2-yl]methyl]methanesulfonamide (PubChem CID 47029988) has the molecular formula C18H25N3O3S and a molecular weight of 363.48 g/mol. Its IUPAC name is N-[[1-(1-ethylindole-3-carbonyl)piperidin-2-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[1-(1-ethylindole-3-carbonyl)piperidin-2-yl]methyl]methanesulfonamide
PubChem CID47029988
Molecular FormulaC18H25N3O3S
Molecular Weight363.48 g/mol
Exact Mass363.16
IUPAC NameN-[[1-(1-ethylindole-3-carbonyl)piperidin-2-yl]methyl]methanesulfonamide
SMILESCCn1cc(C(=O)N2CCCCC2CNS(C)(=O)=O)c2ccccc21
InChIInChI=1S/C18H25N3O3S/c1-3-20-13-16(15-9-4-5-10-17(15)20)18(22)21-11-7-6-8-14(21)12-19-25(2,23)24/h4-5,9-10,13-14,19H,3,6-8,11-12H2,1-2H3
InChIKeyJHKMUZIBVFBBGV-UHFFFAOYSA-N
XLogP2.21
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(5-ethylfuran-2-carbonyl)piperidin-2-yl]methyl]methanesulfonamide
CID 51079365
N-[[1-(3-fluoropyridine-4-carbonyl)piperidin-2-yl]methyl]methanesulfonamide
CID 115645845
1-[4-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]phenyl]-3-phenylurea
CID 47029987
N,N-diethyl-3-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]benzenesulfonamide
CID 43073522
N-[[1-(6-methylpyridine-2-carbonyl)piperidin-2-yl]methyl]methanesulfonamide
CID 43073456
N-[[1-(3-aminobenzoyl)piperidin-2-yl]methyl]methanesulfonamide
CID 60944716
(1-ethylindol-3-yl)-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 128988511
1-[2-[(sulfamoylamino)methyl]piperidine-1-carbonyl]indolizine
CID 154785610
N-[[1-[(E)-3-naphthalen-1-ylprop-2-enoyl]piperidin-2-yl]methyl]methanesulfonamide
CID 43073434
N-[[1-(4-amino-2-chlorobenzoyl)piperidin-2-yl]methyl]methanesulfonamide;hydrochloride
CID 119722447
N-[[(2R)-1-(2-methyl-5-propan-2-ylfuran-3-carbonyl)piperidin-2-yl]methyl]methanesulfonamide
CID 124883784
N-[[1-(3-aminobenzoyl)piperidin-2-yl]methyl]methanesulfonamide;hydrochloride
CID 119722457

Frequently Asked Questions

What is the IUPAC name of N-[[1-(1-ethylindole-3-carbonyl)piperidin-2-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[1-(1-ethylindole-3-carbonyl)piperidin-2-yl]methyl]methanesulfonamide (CID 47029988) is N-[[1-(1-ethylindole-3-carbonyl)piperidin-2-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[1-(1-ethylindole-3-carbonyl)piperidin-2-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[1-(1-ethylindole-3-carbonyl)piperidin-2-yl]methyl]methanesulfonamide is CCn1cc(C(=O)N2CCCCC2CNS(C)(=O)=O)c2ccccc21.
What is the InChIKey of N-[[1-(1-ethylindole-3-carbonyl)piperidin-2-yl]methyl]methanesulfonamide?
The InChIKey is JHKMUZIBVFBBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3S/c1-3-20-13-16(15-9-4-5-10-17(15)20)18(22)21-11-7-6-8-14(21)12-19-25(2,23)24/h4-5,9-10,13-14,19H,3,6-8,11-12H2,1-2H3.
What are the key properties of N-[[1-(1-ethylindole-3-carbonyl)piperidin-2-yl]methyl]methanesulfonamide?
N-[[1-(1-ethylindole-3-carbonyl)piperidin-2-yl]methyl]methanesulfonamide has a molecular weight of 363.48 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1-ethylindole-3-carbonyl)piperidin-2-yl]methyl]methanesulfonamide is sourced from PubChem (CID 47029988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).