(7-cyclopropylsulfonyl-2,7-diazaspiro[3.4]octan-2-yl)-(1-methylcyclohex-3-en-1-yl)methanone

C17H26N2O3S — CID 131691121

IUPAC(7-cyclopropylsulfonyl-2,7-diazaspiro[3.4]octan-2-yl)-(1-methylcyclohex-3-en-1-yl)methanone
SMILESCC1(C(=O)N2CC3(CCN(S(=O)(=O)C4CC4)C3)C2)CC=CCC1
InChIInChI=1S/C17H26N2O3S/c1-16(7-3-2-4-8-16)15(20)18-11-17(12-18)9-10-19(13-17)23(21,22)14-5-6-14/h2-3,14H,4-13H2,1H3
InChIKeyFXALPAXAVLSMTJ-UHFFFAOYSA-N
MW338.47 g/mol
LogP1.76
Rot. Bonds3

About (7-cyclopropylsulfonyl-2,7-diazaspiro[3.4]octan-2-yl)-(1-methylcyclohex-3-en-1-yl)methanone

(7-cyclopropylsulfonyl-2,7-diazaspiro[3.4]octan-2-yl)-(1-methylcyclohex-3-en-1-yl)methanone (PubChem CID 131691121) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is (7-cyclopropylsulfonyl-2,7-diazaspiro[3.4]octan-2-yl)-(1-methylcyclohex-3-en-1-yl)methanone.

Molecular Properties

Compound Name(7-cyclopropylsulfonyl-2,7-diazaspiro[3.4]octan-2-yl)-(1-methylcyclohex-3-en-1-yl)methanone
PubChem CID131691121
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC Name(7-cyclopropylsulfonyl-2,7-diazaspiro[3.4]octan-2-yl)-(1-methylcyclohex-3-en-1-yl)methanone
SMILESCC1(C(=O)N2CC3(CCN(S(=O)(=O)C4CC4)C3)C2)CC=CCC1
InChIInChI=1S/C17H26N2O3S/c1-16(7-3-2-4-8-16)15(20)18-11-17(12-18)9-10-19(13-17)23(21,22)14-5-6-14/h2-3,14H,4-13H2,1H3
InChIKeyFXALPAXAVLSMTJ-UHFFFAOYSA-N
XLogP1.76
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (7-cyclopropylsulfonyl-2,7-diazaspiro[3.4]octan-2-yl)-(1-methylcyclohex-3-en-1-yl)methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (7-cyclopropylsulfonyl-2,7-diazaspiro[3.4]octan-2-yl)-(1-methylcyclohex-3-en-1-yl)methanone?
The IUPAC name of (7-cyclopropylsulfonyl-2,7-diazaspiro[3.4]octan-2-yl)-(1-methylcyclohex-3-en-1-yl)methanone (CID 131691121) is (7-cyclopropylsulfonyl-2,7-diazaspiro[3.4]octan-2-yl)-(1-methylcyclohex-3-en-1-yl)methanone.
What is the SMILES notation for (7-cyclopropylsulfonyl-2,7-diazaspiro[3.4]octan-2-yl)-(1-methylcyclohex-3-en-1-yl)methanone?
The canonical SMILES for (7-cyclopropylsulfonyl-2,7-diazaspiro[3.4]octan-2-yl)-(1-methylcyclohex-3-en-1-yl)methanone is CC1(C(=O)N2CC3(CCN(S(=O)(=O)C4CC4)C3)C2)CC=CCC1.
What is the InChIKey of (7-cyclopropylsulfonyl-2,7-diazaspiro[3.4]octan-2-yl)-(1-methylcyclohex-3-en-1-yl)methanone?
The InChIKey is FXALPAXAVLSMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-16(7-3-2-4-8-16)15(20)18-11-17(12-18)9-10-19(13-17)23(21,22)14-5-6-14/h2-3,14H,4-13H2,1H3.
What are the key properties of (7-cyclopropylsulfonyl-2,7-diazaspiro[3.4]octan-2-yl)-(1-methylcyclohex-3-en-1-yl)methanone?
(7-cyclopropylsulfonyl-2,7-diazaspiro[3.4]octan-2-yl)-(1-methylcyclohex-3-en-1-yl)methanone has a molecular weight of 338.47 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-cyclopropylsulfonyl-2,7-diazaspiro[3.4]octan-2-yl)-(1-methylcyclohex-3-en-1-yl)methanone is sourced from PubChem (CID 131691121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).