N-(2-amino-1-cyclopropylethyl)-4-morpholin-4-ylsulfonylbenzenesulfonamide;hydrochloride

C15H24ClN3O5S2 — CID 119986541

IUPACN-(2-amino-1-cyclopropylethyl)-4-morpholin-4-ylsulfonylbenzenesulfonamide;hydrochloride
SMILESCl.NCC(NS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CC1
InChIInChI=1S/C15H23N3O5S2.ClH/c16-11-15(12-1-2-12)17-24(19,20)13-3-5-14(6-4-13)25(21,22)18-7-9-23-10-8-18;/h3-6,12,15,17H,1-2,7-11,16H2;1H
InChIKeyMCBXKBLFGYGNDE-UHFFFAOYSA-N
MW425.96 g/mol
LogP0.14
Rot. Bonds7

About N-(2-amino-1-cyclopropylethyl)-4-morpholin-4-ylsulfonylbenzenesulfonamide;hydrochloride

N-(2-amino-1-cyclopropylethyl)-4-morpholin-4-ylsulfonylbenzenesulfonamide;hydrochloride (PubChem CID 119986541) has the molecular formula C15H24ClN3O5S2 and a molecular weight of 425.96 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-4-morpholin-4-ylsulfonylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-4-morpholin-4-ylsulfonylbenzenesulfonamide;hydrochloride
PubChem CID119986541
Molecular FormulaC15H24ClN3O5S2
Molecular Weight425.96 g/mol
Exact Mass425.08
IUPAC NameN-(2-amino-1-cyclopropylethyl)-4-morpholin-4-ylsulfonylbenzenesulfonamide;hydrochloride
SMILESCl.NCC(NS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CC1
InChIInChI=1S/C15H23N3O5S2.ClH/c16-11-15(12-1-2-12)17-24(19,20)13-3-5-14(6-4-13)25(21,22)18-7-9-23-10-8-18;/h3-6,12,15,17H,1-2,7-11,16H2;1H
InChIKeyMCBXKBLFGYGNDE-UHFFFAOYSA-N
XLogP0.14
TPSA118.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.96
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-4-(morpholine-4-carbonyl)benzenesulfonamide
CID 119986557
N-(2-amino-1-cyclopropylethyl)-3-morpholin-4-ylsulfonylbenzamide
CID 119615604
N-(2-amino-1-cyclopropylethyl)-3-chloro-4-methylbenzenesulfonamide
CID 119986768
N-(6-methylheptan-2-yl)-4-morpholin-4-ylsulfonylbenzenesulfonamide
CID 18287855
N-(3-aminobutyl)-4-morpholin-4-ylsulfonylbenzenesulfonamide;hydrochloride
CID 119972317
N-benzhydryl-4-morpholin-4-ylsulfonylbenzenesulfonamide
CID 1168367
N-(2-amino-1-cyclopropylethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide;hydrochloride
CID 119986897
N-(3-aminobutyl)-4-morpholin-4-ylsulfonylbenzenesulfonamide
CID 119972318
N-(2-amino-1-cyclopentylethyl)-4-chlorobenzenesulfonamide
CID 106737819
N-[(1R)-1-cyclopropylethyl]-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide
CID 8817025
1-(4-acetylphenyl)sulfonyl-N-(2-amino-1-cyclopropylethyl)piperidine-4-carboxamide;hydrochloride
CID 119613445
N-(2-amino-1-cyclopentylethyl)-4-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120585169

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-4-morpholin-4-ylsulfonylbenzenesulfonamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-4-morpholin-4-ylsulfonylbenzenesulfonamide;hydrochloride (CID 119986541) is N-(2-amino-1-cyclopropylethyl)-4-morpholin-4-ylsulfonylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-4-morpholin-4-ylsulfonylbenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-4-morpholin-4-ylsulfonylbenzenesulfonamide;hydrochloride is Cl.NCC(NS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-4-morpholin-4-ylsulfonylbenzenesulfonamide;hydrochloride?
The InChIKey is MCBXKBLFGYGNDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O5S2.ClH/c16-11-15(12-1-2-12)17-24(19,20)13-3-5-14(6-4-13)25(21,22)18-7-9-23-10-8-18;/h3-6,12,15,17H,1-2,7-11,16H2;1H.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-4-morpholin-4-ylsulfonylbenzenesulfonamide;hydrochloride?
N-(2-amino-1-cyclopropylethyl)-4-morpholin-4-ylsulfonylbenzenesulfonamide;hydrochloride has a molecular weight of 425.96 g/mol, XLogP of 0.14, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-4-morpholin-4-ylsulfonylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119986541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).