N-cyclopropyl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)benzamide

C17H22N2O5S — CID 43817694

IUPACN-cyclopropyl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)benzamide
SMILESO=C(NC1CC1)c1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C17H22N2O5S/c20-16(18-14-3-4-14)13-1-5-15(6-2-13)25(21,22)19-9-7-17(8-10-19)23-11-12-24-17/h1-2,5-6,14H,3-4,7-12H2,(H,18,20)
InChIKeyRBNRNKAEIXZGSQ-UHFFFAOYSA-N
MW366.44 g/mol
LogP1.11
Rot. Bonds4

About N-cyclopropyl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)benzamide

N-cyclopropyl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)benzamide (PubChem CID 43817694) has the molecular formula C17H22N2O5S and a molecular weight of 366.44 g/mol. Its IUPAC name is N-cyclopropyl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)benzamide
PubChem CID43817694
Molecular FormulaC17H22N2O5S
Molecular Weight366.44 g/mol
Exact Mass366.12
IUPAC NameN-cyclopropyl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)benzamide
SMILESO=C(NC1CC1)c1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C17H22N2O5S/c20-16(18-14-3-4-14)13-1-5-15(6-2-13)25(21,22)19-9-7-17(8-10-19)23-11-12-24-17/h1-2,5-6,14H,3-4,7-12H2,(H,18,20)
InChIKeyRBNRNKAEIXZGSQ-UHFFFAOYSA-N
XLogP1.11
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-cyclopropyl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)benzoic acid
CID 23884260
N-cyclopropyl-4-(4-formylpiperazin-1-yl)sulfonylbenzamide
CID 109058274
4-morpholin-4-ylsulfonyl-N-(oxolan-3-yl)benzamide
CID 110868803
N-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)phenyl]-3-iodo-4-methylbenzamide
CID 163682998
N-[1-(4-bromophenyl)sulfonylpiperidin-4-yl]-4-fluorobenzamide
CID 35400948
N-(1-ethylpiperidin-4-yl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 9091107
N-cyclohexyl-4-(4-ethylpiperazin-1-yl)sulfonylbenzamide
CID 109059487
8-(4-ethylphenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 3379058
N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-4-methylsulfonylbenzamide
CID 41171707
4-(4-acetylpiperazin-1-yl)sulfonyl-N-(1-propylpiperidin-4-yl)benzamide
CID 55407115
N-(4-aminocyclohexyl)-4-(3-oxopiperazin-1-yl)sulfonylbenzamide;hydrochloride
CID 119476514
N-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-4-methylbenzamide
CID 108559241

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)benzamide?
The IUPAC name of N-cyclopropyl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)benzamide (CID 43817694) is N-cyclopropyl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)benzamide.
What is the SMILES notation for N-cyclopropyl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)benzamide?
The canonical SMILES for N-cyclopropyl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)benzamide is O=C(NC1CC1)c1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1.
What is the InChIKey of N-cyclopropyl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)benzamide?
The InChIKey is RBNRNKAEIXZGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O5S/c20-16(18-14-3-4-14)13-1-5-15(6-2-13)25(21,22)19-9-7-17(8-10-19)23-11-12-24-17/h1-2,5-6,14H,3-4,7-12H2,(H,18,20).
What are the key properties of N-cyclopropyl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)benzamide?
N-cyclopropyl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)benzamide has a molecular weight of 366.44 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)benzamide is sourced from PubChem (CID 43817694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).