3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-(piperidin-3-ylmethyl)propanamide

C18H26N2O3S — CID 119461973

IUPAC3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-(piperidin-3-ylmethyl)propanamide
SMILESO=C(CCS(=O)(=O)c1ccc2c(c1)CCC2)NCC1CCCNC1
InChIInChI=1S/C18H26N2O3S/c21-18(20-13-14-3-2-9-19-12-14)8-10-24(22,23)17-7-6-15-4-1-5-16(15)11-17/h6-7,11,14,19H,1-5,8-10,12-13H2,(H,20,21)
InChIKeyDVQXZWJIUQCYHW-UHFFFAOYSA-N
MW350.48 g/mol
LogP1.45
Rot. Bonds6

About 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-(piperidin-3-ylmethyl)propanamide

3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-(piperidin-3-ylmethyl)propanamide (PubChem CID 119461973) has the molecular formula C18H26N2O3S and a molecular weight of 350.48 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-(piperidin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-(piperidin-3-ylmethyl)propanamide
PubChem CID119461973
Molecular FormulaC18H26N2O3S
Molecular Weight350.48 g/mol
Exact Mass350.17
IUPAC Name3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-(piperidin-3-ylmethyl)propanamide
SMILESO=C(CCS(=O)(=O)c1ccc2c(c1)CCC2)NCC1CCCNC1
InChIInChI=1S/C18H26N2O3S/c21-18(20-13-14-3-2-9-19-12-14)8-10-24(22,23)17-7-6-15-4-1-5-16(15)11-17/h6-7,11,14,19H,1-5,8-10,12-13H2,(H,20,21)
InChIKeyDVQXZWJIUQCYHW-UHFFFAOYSA-N
XLogP1.45
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.48
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,4-dimethoxyphenyl)sulfonyl-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
CID 119462202
N-(2-piperidin-3-ylethyl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 119558546
N-(3-aminopropyl)-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide
CID 119406690
3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(methylamino)propyl]propanamide
CID 120826990
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
CID 119558343
N-(cyclopentylmethyl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 43067731
N-(2-piperidin-3-ylethyl)-2,3-dihydro-1H-indene-5-sulfonamide;hydrochloride
CID 119979394
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide;hydrochloride
CID 119457125
N-methyl-N-(piperidin-3-ylmethyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 106630837
N-(cyclopropylmethyl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 24667154
methyl 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanoate
CID 43330679
3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N'-(4-fluorophenyl)propanehydrazide
CID 71938729

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-(piperidin-3-ylmethyl)propanamide?
The IUPAC name of 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-(piperidin-3-ylmethyl)propanamide (CID 119461973) is 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-(piperidin-3-ylmethyl)propanamide.
What is the SMILES notation for 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-(piperidin-3-ylmethyl)propanamide?
The canonical SMILES for 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-(piperidin-3-ylmethyl)propanamide is O=C(CCS(=O)(=O)c1ccc2c(c1)CCC2)NCC1CCCNC1.
What is the InChIKey of 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-(piperidin-3-ylmethyl)propanamide?
The InChIKey is DVQXZWJIUQCYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3S/c21-18(20-13-14-3-2-9-19-12-14)8-10-24(22,23)17-7-6-15-4-1-5-16(15)11-17/h6-7,11,14,19H,1-5,8-10,12-13H2,(H,20,21).
What are the key properties of 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-(piperidin-3-ylmethyl)propanamide?
3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-(piperidin-3-ylmethyl)propanamide has a molecular weight of 350.48 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-(piperidin-3-ylmethyl)propanamide is sourced from PubChem (CID 119461973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).