N,N-dimethyl-4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)-1,4-diazepane-1-sulfonamide

C18H27N3O3S — CID 110810347

IUPACN,N-dimethyl-4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)-1,4-diazepane-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCCN(C(=O)c2ccc3c(c2)CCCC3)CC1
InChIInChI=1S/C18H27N3O3S/c1-19(2)25(23,24)21-11-5-10-20(12-13-21)18(22)17-9-8-15-6-3-4-7-16(15)14-17/h8-9,14H,3-7,10-13H2,1-2H3
InChIKeyVFHNNVKCMNVSPG-UHFFFAOYSA-N
MW365.50 g/mol
LogP1.52
Rot. Bonds3

About N,N-dimethyl-4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)-1,4-diazepane-1-sulfonamide

N,N-dimethyl-4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)-1,4-diazepane-1-sulfonamide (PubChem CID 110810347) has the molecular formula C18H27N3O3S and a molecular weight of 365.50 g/mol. Its IUPAC name is N,N-dimethyl-4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)-1,4-diazepane-1-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)-1,4-diazepane-1-sulfonamide
PubChem CID110810347
Molecular FormulaC18H27N3O3S
Molecular Weight365.50 g/mol
Exact Mass365.18
IUPAC NameN,N-dimethyl-4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)-1,4-diazepane-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCCN(C(=O)c2ccc3c(c2)CCCC3)CC1
InChIInChI=1S/C18H27N3O3S/c1-19(2)25(23,24)21-11-5-10-20(12-13-21)18(22)17-9-8-15-6-3-4-7-16(15)14-17/h8-9,14H,3-7,10-13H2,1-2H3
InChIKeyVFHNNVKCMNVSPG-UHFFFAOYSA-N
XLogP1.52
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydro-1H-inden-5-yl-(4-ethylsulfonyl-1,4-diazepan-1-yl)methanone
CID 110810059
(4-methylsulfonylpiperazin-1-yl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 51305545
2,3-dihydro-1H-inden-5-yl-(4-methylsulfonylpiperazin-1-yl)methanone
CID 51305538
N,N-dimethyl-4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazine-1-carboxamide
CID 38724077
4-(3-fluoro-4-methoxybenzoyl)-N,N-dimethyl-1,4-diazepane-1-sulfonamide
CID 110810353
4-(3,4-dihydro-2H-1,5-benzodioxepine-7-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide
CID 32503491
methyl 4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)-1,4-diazepane-1-carboxylate
CID 110808701
N,N-dimethyl-4-[4-(methylsulfonylmethyl)benzoyl]piperazine-1-sulfonamide
CID 32501840
[4-(2,3-dihydro-1H-indene-5-carbonyl)-1,4-diazepan-1-yl]-phenylmethanone
CID 38461269
[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 9368898
phenyl-[4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazin-1-yl]methanone
CID 84543270
cyclopropyl-[4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110806430

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)-1,4-diazepane-1-sulfonamide?
The IUPAC name of N,N-dimethyl-4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)-1,4-diazepane-1-sulfonamide (CID 110810347) is N,N-dimethyl-4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)-1,4-diazepane-1-sulfonamide.
What is the SMILES notation for N,N-dimethyl-4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)-1,4-diazepane-1-sulfonamide?
The canonical SMILES for N,N-dimethyl-4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)-1,4-diazepane-1-sulfonamide is CN(C)S(=O)(=O)N1CCCN(C(=O)c2ccc3c(c2)CCCC3)CC1.
What is the InChIKey of N,N-dimethyl-4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)-1,4-diazepane-1-sulfonamide?
The InChIKey is VFHNNVKCMNVSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3S/c1-19(2)25(23,24)21-11-5-10-20(12-13-21)18(22)17-9-8-15-6-3-4-7-16(15)14-17/h8-9,14H,3-7,10-13H2,1-2H3.
What are the key properties of N,N-dimethyl-4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)-1,4-diazepane-1-sulfonamide?
N,N-dimethyl-4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)-1,4-diazepane-1-sulfonamide has a molecular weight of 365.50 g/mol, XLogP of 1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)-1,4-diazepane-1-sulfonamide is sourced from PubChem (CID 110810347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).