N-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]-2,3-dihydro-1H-indene-5-sulfonamide

C18H23N3O3S2 — CID 110359969

IUPACN-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]-2,3-dihydro-1H-indene-5-sulfonamide
SMILESO=S(=O)(NCc1nc(CN2CCOCC2)cs1)c1ccc2c(c1)CCC2
InChIInChI=1S/C18H23N3O3S2/c22-26(23,17-5-4-14-2-1-3-15(14)10-17)19-11-18-20-16(13-25-18)12-21-6-8-24-9-7-21/h4-5,10,13,19H,1-3,6-9,11-12H2
InChIKeyBKNRWSXJHDICOT-UHFFFAOYSA-N
MW393.53 g/mol
LogP1.94
Rot. Bonds6

About N-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]-2,3-dihydro-1H-indene-5-sulfonamide

N-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]-2,3-dihydro-1H-indene-5-sulfonamide (PubChem CID 110359969) has the molecular formula C18H23N3O3S2 and a molecular weight of 393.53 g/mol. Its IUPAC name is N-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]-2,3-dihydro-1H-indene-5-sulfonamide.

Molecular Properties

Compound NameN-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]-2,3-dihydro-1H-indene-5-sulfonamide
PubChem CID110359969
Molecular FormulaC18H23N3O3S2
Molecular Weight393.53 g/mol
Exact Mass393.12
IUPAC NameN-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]-2,3-dihydro-1H-indene-5-sulfonamide
SMILESO=S(=O)(NCc1nc(CN2CCOCC2)cs1)c1ccc2c(c1)CCC2
InChIInChI=1S/C18H23N3O3S2/c22-26(23,17-5-4-14-2-1-3-15(14)10-17)19-11-18-20-16(13-25-18)12-21-6-8-24-9-7-21/h4-5,10,13,19H,1-3,6-9,11-12H2
InChIKeyBKNRWSXJHDICOT-UHFFFAOYSA-N
XLogP1.94
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]-2,3-dihydro-1H-indene-5-sulfonamide with MolForge

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Related Compounds

N-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]cyclopentanesulfonamide
CID 110357349
N-[(4-morpholin-4-ylphenyl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 110405168
4-ethoxy-N-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]methyl]benzenesulfonamide
CID 110368685
N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 26531885
2-[2-[2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)ethyl]-1,3-thiazol-4-yl]acetic acid
CID 146128015
N-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]methyl]thiophene-2-sulfonamide
CID 110368671
N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 122319188
N-[(2S)-2-morpholin-4-ylpropyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 51873210
N-[[4-(1,4-oxazepan-4-ylmethyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 62974846
N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 110739068
methyl N-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]carbamate
CID 110359921
N-(furan-3-ylmethyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 47204540

Frequently Asked Questions

What is the IUPAC name of N-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]-2,3-dihydro-1H-indene-5-sulfonamide?
The IUPAC name of N-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]-2,3-dihydro-1H-indene-5-sulfonamide (CID 110359969) is N-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]-2,3-dihydro-1H-indene-5-sulfonamide.
What is the SMILES notation for N-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]-2,3-dihydro-1H-indene-5-sulfonamide?
The canonical SMILES for N-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]-2,3-dihydro-1H-indene-5-sulfonamide is O=S(=O)(NCc1nc(CN2CCOCC2)cs1)c1ccc2c(c1)CCC2.
What is the InChIKey of N-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]-2,3-dihydro-1H-indene-5-sulfonamide?
The InChIKey is BKNRWSXJHDICOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S2/c22-26(23,17-5-4-14-2-1-3-15(14)10-17)19-11-18-20-16(13-25-18)12-21-6-8-24-9-7-21/h4-5,10,13,19H,1-3,6-9,11-12H2.
What are the key properties of N-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]-2,3-dihydro-1H-indene-5-sulfonamide?
N-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]-2,3-dihydro-1H-indene-5-sulfonamide has a molecular weight of 393.53 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]-2,3-dihydro-1H-indene-5-sulfonamide is sourced from PubChem (CID 110359969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).