N-[(1R,5R)-6,6-dimethyl-2-methylidene-3-bicyclo[3.1.1]heptanyl]-4-sulfamoylcyclohexane-1-carboxamide

C17H28N2O3S — CID 166281376

IUPACN-[(1R,5R)-6,6-dimethyl-2-methylidene-3-bicyclo[3.1.1]heptanyl]-4-sulfamoylcyclohexane-1-carboxamide
SMILESC=C1C(NC(=O)C2CCC(S(N)(=O)=O)CC2)C[C@H]2C[C@@H]1C2(C)C
InChIInChI=1S/C17H28N2O3S/c1-10-14-8-12(17(14,2)3)9-15(10)19-16(20)11-4-6-13(7-5-11)23(18,21)22/h11-15H,1,4-9H2,2-3H3,(H,19,20)(H2,18,21,22)/t11?,12-,13?,14+,15?/m1/s1
InChIKeyBUDBEABIQWDZSJ-MFEYBKIZSA-N
MW340.49 g/mol
LogP1.94
Rot. Bonds3

About N-[(1R,5R)-6,6-dimethyl-2-methylidene-3-bicyclo[3.1.1]heptanyl]-4-sulfamoylcyclohexane-1-carboxamide

N-[(1R,5R)-6,6-dimethyl-2-methylidene-3-bicyclo[3.1.1]heptanyl]-4-sulfamoylcyclohexane-1-carboxamide (PubChem CID 166281376) has the molecular formula C17H28N2O3S and a molecular weight of 340.49 g/mol. Its IUPAC name is N-[(1R,5R)-6,6-dimethyl-2-methylidene-3-bicyclo[3.1.1]heptanyl]-4-sulfamoylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[(1R,5R)-6,6-dimethyl-2-methylidene-3-bicyclo[3.1.1]heptanyl]-4-sulfamoylcyclohexane-1-carboxamide
PubChem CID166281376
Molecular FormulaC17H28N2O3S
Molecular Weight340.49 g/mol
Exact Mass340.18
IUPAC NameN-[(1R,5R)-6,6-dimethyl-2-methylidene-3-bicyclo[3.1.1]heptanyl]-4-sulfamoylcyclohexane-1-carboxamide
SMILESC=C1C(NC(=O)C2CCC(S(N)(=O)=O)CC2)C[C@H]2C[C@@H]1C2(C)C
InChIInChI=1S/C17H28N2O3S/c1-10-14-8-12(17(14,2)3)9-15(10)19-16(20)11-4-6-13(7-5-11)23(18,21)22/h11-15H,1,4-9H2,2-3H3,(H,19,20)(H2,18,21,22)/t11?,12-,13?,14+,15?/m1/s1
InChIKeyBUDBEABIQWDZSJ-MFEYBKIZSA-N
XLogP1.94
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,5R)-6,6-dimethyl-2-methylidene-3-bicyclo[3.1.1]heptanyl]-4-sulfamoylcyclohexane-1-carboxamide?
The IUPAC name of N-[(1R,5R)-6,6-dimethyl-2-methylidene-3-bicyclo[3.1.1]heptanyl]-4-sulfamoylcyclohexane-1-carboxamide (CID 166281376) is N-[(1R,5R)-6,6-dimethyl-2-methylidene-3-bicyclo[3.1.1]heptanyl]-4-sulfamoylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[(1R,5R)-6,6-dimethyl-2-methylidene-3-bicyclo[3.1.1]heptanyl]-4-sulfamoylcyclohexane-1-carboxamide?
The canonical SMILES for N-[(1R,5R)-6,6-dimethyl-2-methylidene-3-bicyclo[3.1.1]heptanyl]-4-sulfamoylcyclohexane-1-carboxamide is C=C1C(NC(=O)C2CCC(S(N)(=O)=O)CC2)C[C@H]2C[C@@H]1C2(C)C.
What is the InChIKey of N-[(1R,5R)-6,6-dimethyl-2-methylidene-3-bicyclo[3.1.1]heptanyl]-4-sulfamoylcyclohexane-1-carboxamide?
The InChIKey is BUDBEABIQWDZSJ-MFEYBKIZSA-N. The full InChI is InChI=1S/C17H28N2O3S/c1-10-14-8-12(17(14,2)3)9-15(10)19-16(20)11-4-6-13(7-5-11)23(18,21)22/h11-15H,1,4-9H2,2-3H3,(H,19,20)(H2,18,21,22)/t11?,12-,13?,14+,15?/m1/s1.
What are the key properties of N-[(1R,5R)-6,6-dimethyl-2-methylidene-3-bicyclo[3.1.1]heptanyl]-4-sulfamoylcyclohexane-1-carboxamide?
N-[(1R,5R)-6,6-dimethyl-2-methylidene-3-bicyclo[3.1.1]heptanyl]-4-sulfamoylcyclohexane-1-carboxamide has a molecular weight of 340.49 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,5R)-6,6-dimethyl-2-methylidene-3-bicyclo[3.1.1]heptanyl]-4-sulfamoylcyclohexane-1-carboxamide is sourced from PubChem (CID 166281376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).