N-(cyclopropylmethyl)-N-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7-sulfonamide

C15H22N2O2S — CID 44573220

IUPACN-(cyclopropylmethyl)-N-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7-sulfonamide
SMILESCN(CC1CC1)S(=O)(=O)c1ccc2c(c1)CCNCC2
InChIInChI=1S/C15H22N2O2S/c1-17(11-12-2-3-12)20(18,19)15-5-4-13-6-8-16-9-7-14(13)10-15/h4-5,10,12,16H,2-3,6-9,11H2,1H3
InChIKeyJIGCYFYZHGDACW-UHFFFAOYSA-N
MW294.42 g/mol
LogP1.41
Rot. Bonds4

About N-(cyclopropylmethyl)-N-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7-sulfonamide

N-(cyclopropylmethyl)-N-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7-sulfonamide (PubChem CID 44573220) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7-sulfonamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7-sulfonamide
PubChem CID44573220
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC NameN-(cyclopropylmethyl)-N-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7-sulfonamide
SMILESCN(CC1CC1)S(=O)(=O)c1ccc2c(c1)CCNCC2
InChIInChI=1S/C15H22N2O2S/c1-17(11-12-2-3-12)20(18,19)15-5-4-13-6-8-16-9-7-14(13)10-15/h4-5,10,12,16H,2-3,6-9,11H2,1H3
InChIKeyJIGCYFYZHGDACW-UHFFFAOYSA-N
XLogP1.41
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1H-3-Benzazepine,2,3,4,5-tetrahydro-3-[(4-methylphenyl)sulfonyl]-
CID 260976
4-Pyrrolidin-1-ylsulfonyl-10-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene
CID 9835715
7-(phenylsulfonyl)-2,3,4,5-tetrahydro-1H-benzo[d]azepine
CID 42601405
N,N-dimethyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine-7-sulfonamide
CID 44573156
7-(pyrrolidin-1-ylsulfonyl)-2,3,4,5-tetrahydro-1H-benzo[d]azepine
CID 44573221
4-(2,3,4,5-tetrahydro-1H-benzo[d]azepin-7-ylsulfonyl)morpholine
CID 44573223
4-(Aziridin-1-ylsulfonyl)-10-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene
CID 44404455
N-(cyclopropylmethyl)-2,3,4,5-tetrahydro-1H-benzo[d]azepine-7-sulfonamide
CID 44573155
N-propyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine-7-sulfonamide
CID 44573216
N-benzyl-N-methyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine-7-sulfonamide
CID 44573219
7-(piperidin-1-ylsulfonyl)-2,3,4,5-tetrahydro-1H-benzo[d]azepine
CID 44573222
4-[2-(Cyanomethylamino)ethyl]benzenesulfonamide
CID 156020952

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7-sulfonamide?
The IUPAC name of N-(cyclopropylmethyl)-N-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7-sulfonamide (CID 44573220) is N-(cyclopropylmethyl)-N-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7-sulfonamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7-sulfonamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7-sulfonamide is CN(CC1CC1)S(=O)(=O)c1ccc2c(c1)CCNCC2.
What is the InChIKey of N-(cyclopropylmethyl)-N-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7-sulfonamide?
The InChIKey is JIGCYFYZHGDACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-17(11-12-2-3-12)20(18,19)15-5-4-13-6-8-16-9-7-14(13)10-15/h4-5,10,12,16H,2-3,6-9,11H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-N-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7-sulfonamide?
N-(cyclopropylmethyl)-N-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7-sulfonamide has a molecular weight of 294.42 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7-sulfonamide is sourced from PubChem (CID 44573220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).