N-(4-aminocyclohexyl)-2-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide

C15H22N2O3S — CID 75430990

IUPACN-(4-aminocyclohexyl)-2-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESCC1Cc2cc(S(=O)(=O)NC3CCC(N)CC3)ccc2O1
InChIInChI=1S/C15H22N2O3S/c1-10-8-11-9-14(6-7-15(11)20-10)21(18,19)17-13-4-2-12(16)3-5-13/h6-7,9-10,12-13,17H,2-5,8,16H2,1H3
InChIKeyQFIVUAAKYOIQHP-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.56
Rot. Bonds3

About N-(4-aminocyclohexyl)-2-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide

N-(4-aminocyclohexyl)-2-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide (PubChem CID 75430990) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-2-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-2-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide
PubChem CID75430990
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN-(4-aminocyclohexyl)-2-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESCC1Cc2cc(S(=O)(=O)NC3CCC(N)CC3)ccc2O1
InChIInChI=1S/C15H22N2O3S/c1-10-8-11-9-14(6-7-15(11)20-10)21(18,19)17-13-4-2-12(16)3-5-13/h6-7,9-10,12-13,17H,2-5,8,16H2,1H3
InChIKeyQFIVUAAKYOIQHP-UHFFFAOYSA-N
XLogP1.56
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-2-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 119967986
N-(2-amino-2-cyclopropylethyl)-2-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 120582443
(2R)-N-[(1S,2R)-2-(aminomethyl)cyclopentyl]-2-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 97325780
2-methyl-2,3-dihydro-1-benzofuran-5-sulfonyl fluoride
CID 165460112
(2S)-N-(1-amino-2-methylpropan-2-yl)-2-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 99603521
2-methyl-N-[3-(1,2,4-triazol-1-ylmethyl)cyclobutyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 146149634
2-methyl-N-[2-(methylamino)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 119973166
(2R)-2-methyl-N-[(2R,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 129328384
(2S)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 97220391
2-methyl-N-(2-pyrrolidin-3-ylethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 119977213
N-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)cyclohexyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 55361585
N-[3,5-bis(hydroxymethyl)phenyl]-2-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 126823942

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-2-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide?
The IUPAC name of N-(4-aminocyclohexyl)-2-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide (CID 75430990) is N-(4-aminocyclohexyl)-2-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-2-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide?
The canonical SMILES for N-(4-aminocyclohexyl)-2-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide is CC1Cc2cc(S(=O)(=O)NC3CCC(N)CC3)ccc2O1.
What is the InChIKey of N-(4-aminocyclohexyl)-2-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide?
The InChIKey is QFIVUAAKYOIQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-10-8-11-9-14(6-7-15(11)20-10)21(18,19)17-13-4-2-12(16)3-5-13/h6-7,9-10,12-13,17H,2-5,8,16H2,1H3.
What are the key properties of N-(4-aminocyclohexyl)-2-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide?
N-(4-aminocyclohexyl)-2-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide has a molecular weight of 310.42 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-2-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide is sourced from PubChem (CID 75430990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).