N-(4-aminocyclohexyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanamide

C17H24N2O5S — CID 119475033

IUPACN-(4-aminocyclohexyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanamide
SMILESNC1CCC(NC(=O)CCS(=O)(=O)c2ccc3c(c2)OCCO3)CC1
InChIInChI=1S/C17H24N2O5S/c18-12-1-3-13(4-2-12)19-17(20)7-10-25(21,22)14-5-6-15-16(11-14)24-9-8-23-15/h5-6,11-13H,1-4,7-10,18H2,(H,19,20)
InChIKeyOIEXSYRANGSITP-UHFFFAOYSA-N
MW368.46 g/mol
LogP1.01
Rot. Bonds5

About N-(4-aminocyclohexyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanamide

N-(4-aminocyclohexyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanamide (PubChem CID 119475033) has the molecular formula C17H24N2O5S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanamide
PubChem CID119475033
Molecular FormulaC17H24N2O5S
Molecular Weight368.46 g/mol
Exact Mass368.14
IUPAC NameN-(4-aminocyclohexyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanamide
SMILESNC1CCC(NC(=O)CCS(=O)(=O)c2ccc3c(c2)OCCO3)CC1
InChIInChI=1S/C17H24N2O5S/c18-12-1-3-13(4-2-12)19-17(20)7-10-25(21,22)14-5-6-15-16(11-14)24-9-8-23-15/h5-6,11-13H,1-4,7-10,18H2,(H,19,20)
InChIKeyOIEXSYRANGSITP-UHFFFAOYSA-N
XLogP1.01
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanamide
CID 46628484
N-(4-aminocyclohexyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)propanamide;hydrochloride
CID 119477281
N-(2-amino-1-cyclopropylethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanamide
CID 119613440
3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoic acid
CID 6496750
N-(4-aminocyclohexyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfinyl)propanamide;hydrochloride
CID 119479128
N-cyclopropyl-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanamide
CID 9165528
3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-[(2R)-5-methylhexan-2-yl]propanamide
CID 31836791
N-cyclopropyl-3-naphthalen-2-ylsulfonylpropanamide
CID 19584005
3-(3-aminophenyl)sulfonyl-N-cyclopropylpropanamide
CID 81181099
4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoylamino]-4-methylpentanoic acid
CID 119203766
ethyl 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoate
CID 43132437
N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylmethyl)cyclopropanamine
CID 117036428

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanamide?
The IUPAC name of N-(4-aminocyclohexyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanamide (CID 119475033) is N-(4-aminocyclohexyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanamide?
The canonical SMILES for N-(4-aminocyclohexyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanamide is NC1CCC(NC(=O)CCS(=O)(=O)c2ccc3c(c2)OCCO3)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanamide?
The InChIKey is OIEXSYRANGSITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O5S/c18-12-1-3-13(4-2-12)19-17(20)7-10-25(21,22)14-5-6-15-16(11-14)24-9-8-23-15/h5-6,11-13H,1-4,7-10,18H2,(H,19,20).
What are the key properties of N-(4-aminocyclohexyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanamide?
N-(4-aminocyclohexyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanamide has a molecular weight of 368.46 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanamide is sourced from PubChem (CID 119475033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).